Cas no 933-88-0 (o-Toluoyl chloride)

o-Toluoyl chloride structure
o-Toluoyl chloride structure
Product Name:o-Toluoyl chloride
CAS No:933-88-0
MF:C8H7ClO
MW:154.593581438065
MDL:MFCD00000668
CID:40321
PubChem ID:24847475
Update Time:2024-10-26

o-Toluoyl chloride Chemical and Physical Properties

Names and Identifiers

    • o-Toluoyl chloride
    • o-Toluoyl chloride, 2-(Chlorocarbonyl)toluene
    • o-Toluoyl chlori
    • 2-methyl-benzoylchlorid
    • o-Toluic acid chloride
    • 2-TOLUOYL CHLORIDE
    • 2-METHYLBENZOYL CHLORIDE
    • Benzoyl chloride, 2-methyl-
    • O-Methylbenzoyl Chloride
    • 2-methylbenzoic acid chloride
    • 2-methylbenzoic chloride
    • 2-methyl-benzoyl chloride
    • O-Methylbenzoyl
    • ortho-toluoyl chloride
    • o-Toluic chloride
    • O-TOLUYL CHLORIDE
    • o-Toluenecarbonyl chloride
    • 2-Methylbenzoyl chloride (ACI)
    • o-Toluoyl chloride (6CI, 7CI, 8CI)
    • o-Toluoyl chloride,98%
    • DB-265530
    • o-methylbenzoylchloride
    • 37808-28-9
    • Methylbenzoyl chloride
    • 2-Methylbenzoic Acid Chloride; 2-Methylbenzoyl Chloride; 2-Toluoyl Chloride; o-Methylbenzoyl Chloride; o-Toluic Acid Chloride
    • o-Toluoyl chloride, 99%
    • T0310
    • AKOS005256976
    • orthotoluoyl chloride
    • EINECS 253-674-5
    • 2-methyl-benzoic acid chloride
    • STL141092
    • UNII-J9YKN18E7R
    • STR00279
    • Q27281395
    • o-toloyl chloride
    • SCHEMBL93382
    • 933-88-0
    • 2-methyl benzoyl chloride
    • J9YKN18E7R
    • NS00039553
    • Q-200304
    • CCRIS 8618
    • DTXSID1061314
    • InChI=1/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H
    • 2-methylbenzoylchloride
    • DB-057397
    • EINECS 213-273-8
    • Toluoylchloride
    • MFCD00000668
    • EN300-56164
    • F2190-0039
    • MDL: MFCD00000668
    • Inchi: 1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
    • InChI Key: GPZXFICWCMCQPF-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=CC=CC=1)Cl
    • BRN: 507933

Computed Properties

  • Exact Mass: 154.01900
  • Monoisotopic Mass: 154.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.185?g/mL?at 25?°C(lit.)
  • Melting Point: -18
  • Boiling Point: 88-90?°C/12?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:170.6°F
    Degrees Celsius:77°C
  • Refractive Index: n20/D 1.5549(lit.)
  • Water Partition Coefficient: Reacts with water.
  • PSA: 17.07000
  • LogP: 2.37400
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

o-Toluoyl chloride Security Information

  • Symbol: GHS05 GHS07
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H314,H335
  • Warning Statement: P261,P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34-36/37
  • Safety Instruction: S23-S26-S27-S36/37/39-S45-S24/25
  • FLUKA BRAND F CODES:10-19-21
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • TSCA:Yes
  • Safety Term:8
  • Packing Group:II
  • Risk Phrases:R34
  • Storage Condition:Keep away from high temperature, sparks, flames and fire sources. Keep container closed when not in use. Store in tightly closed containers. Store in a cool, dry and well ventilated area, away from incompatible substances and corrosive substances. Avoid moisture.

o-Toluoyl chloride Customs Data

  • HS CODE:29163900
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

o-Toluoyl chloride Pricemore >>

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o-Toluoyl chloride Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane ;  rt → 0 °C; 5 min, 0 °C
1.2 Reagents: Thionyl chloride ;  0 °C; 5 h, 85 °C
Reference
Highly Chemoselective Transamidation of Unactivated Tertiary Amides by Electrophilic N-C(O) Activation by Amide-to-Acyl Iodide Re-routing
Zuo, Dongxu; Wang, Qun; Liu, Long; Huang, Tianzeng; Szostak, Michal; et al, Angewandte Chemie, 2022, 61(24),

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  1.5 h, 5 bar, 120 °C
Reference
Design and synthesis of N-benzoyl amino acid derivatives as DNA methylation inhibitors
Garella, Davide; Atlante, Sandra; Borretto, Emily; Cocco, Mattia; Giorgis, Marta; et al, Chemical Biology & Drug Design, 2016, 88(5), 664-676

Production Method 3

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  2 - 24 h, reflux
Reference
Analogues of Fenarimol Are Potent Inhibitors of Trypanosoma cruzi and Are Efficacious in a Murine Model of Chagas Disease
Keenan, Martine; Abbott, Michael J.; Alexander, Paul W.; Armstrong, Tanya; Best, Wayne M.; et al, Journal of Medicinal Chemistry, 2012, 55(9), 4189-4204

Production Method 4

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: Benzene ;  14 h, rt
Reference
Side arm participation in lariat ether carboxylate-alkali metal cation complexes in solution
Torun, Lokman; Robison, Thomas W.; Krzykawski, Jan; Purkiss, David W.; Bartsch, Richard A., Tetrahedron, 2005, 61(35), 8345-8350

Production Method 5

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Toluene ;  16 h, reflux
Reference
Hepatitis B virus (HBV) inhibitor
, Russian Federation, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Thionyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  0.5 - 3 h, rt
Reference
Catalytic aza-Wittig Reaction of Acid Anhydride for the Synthesis of 4H-Benzo[d][1,3]oxazin-4-ones and 4-Benzylidene-2-aryloxazol-5(4H)-ones
Wang, Long; Xie, Yi-Bi; Huang, Nian-Yu; Yan, Jia-Ying; Hu, Wei-Min; et al, ACS Catalysis, 2016, 6(6), 4010-4016

Production Method 7

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  3 h, reflux
Reference
Design, synthesis and antifungal activity of novel 2,5-disubstituted 1,3,4-oxadiazoles
Yu, Xue-liang; Bao, Jian-an; Sun, Zhong-wen, Dier Junyi Daxue Xuebao, 2012, 33(9), 1019-1023

Production Method 8

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  4 h, rt → reflux
Reference
Study on synthesis of L-(-)-di(o-toluoyl)tartaric acid
Li, Zhicheng; Lu, Lihong; Jin, Yan, Huaxue Yu Shengwu Gongcheng, 2010, 27(5), 47-48

Production Method 9

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane ;  5 min, 0 °C
1.2 Reagents: Oxalyl chloride ;  0 °C; 4 h, 25 °C
Reference
Simple and Practical Conversion of Benzoic Acids to Phenols at Room Temperature
Xiong, Wenzhang; Shi, Qiu; Liu, Wenbo H., Journal of the American Chemical Society, 2022, 144(34), 15894-15902

Production Method 10

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane ;  rt → 0 °C; 5 min, 0 °C
1.2 Reagents: Oxalyl chloride ;  12 h, rt
Reference
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Hoque, Emdadul Md; Bisht, Ranjana; Unnikrishnan, Anju; Dey, Sayan; Mahamudul Hassan, Mirja Md; et al, Angewandte Chemie, 2022, 61(27),

Production Method 11

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane ;  5 min, 0 °C
1.2 Reagents: Oxalyl chloride ;  0 °C; 12 h, rt
Reference
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Bisht, Ranjana; Hoque, Emdadul Md; Chattopadhyay, Buddhadeb, Angewandte Chemie, 2018, 57(48), 15762-15766

Production Method 12

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ;  rt → 90 °C; 3 h, 90 °C
Reference
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Production Method 13

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  2 h, reflux
Reference
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Kauhanka, M. U.; Ananich, S. K.; Charnou, Y. G.; Kashkan, Z. N.; Bakhanovich, L. V., Vestsi Natsyyanal'nai Akademii Navuk Belarusi, 2015, (2), 63-67

Production Method 14

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  rt → reflux; 7 h, reflux
Reference
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Production Method 15

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Chloroform ;  rt; rt → reflux; 5 h, reflux; reflux → 90 °C
Reference
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Zhang, Xiangning; Ni, Jueping; Li, Yufeng; Jiang, Mugeng, Nanjing Nongye Daxue Xuebao, 2005, 28(4), 135-139

Production Method 16

Reaction Conditions
1.1 Reagents: Chlorine ;  16 h, rt
Reference
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Production Method 17

Reaction Conditions
1.1 Reagents: Cyanuric chloride Catalysts: 1-Pyrrolidinecarboxaldehyde Solvents: Acetonitrile ;  4 h, 80 °C
Reference
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Huy, Peter H.; Mbouhom, Christelle, Chemical Science, 2019, 10(31), 7399-7406

Production Method 18

Reaction Conditions
1.1 Reagents: Benzyltriphenylphosphonium chloride Catalysts: Bis(tri-tert-butylphosphine)palladium Solvents: Toluene ;  24 h, 22 °C → 110 °C
Reference
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Quesnel, Jeffrey S.; Arndtsen, Bruce A., Journal of the American Chemical Society, 2013, 135(45), 16841-16844

Production Method 19

Reaction Conditions
1.1 Reagents: Phosgene Solvents: Tetrahydrofuran ;  52 °C
Reference
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Production Method 20

Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: Chlorobenzene ;  rt; rt → 100 °C; 30 min, 100 °C; 2 - 3 h, 100 °C; cooled
Reference
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Xu, Xiangsheng; Du, Xiaohua; Zheng, Mei; Xu, Zhenyuan, Nongyao, 2005, 44(6), 265-266

o-Toluoyl chloride Raw materials

o-Toluoyl chloride Preparation Products

o-Toluoyl chloride Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:933-88-0)o-Toluoyl chloride
Order Number:sfd11502
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:933-88-0)o-Toluoyl Chloride
Order Number:LE15245;LE1755108;LE5930
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:12
Price ($):discuss personally

o-Toluoyl chloride Related Literature

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:933-88-0)o-Toluoyl chloride
sfd11502
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:933-88-0)o-Toluoyl Chloride
LE15245;LE1755108;LE5930
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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