Cas no 40782-54-5 (Benzoyl chloride,4-(heptyloxy)-)
40782-54-5 structure
Product Name:Benzoyl chloride,4-(heptyloxy)-
CAS No:40782-54-5
MF:C14H19ClO2
MW:254.752463579178
CID:329359
PubChem ID:2724182
Update Time:2025-04-19
Benzoyl chloride,4-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4-heptoxybenzoyl chloride
- 4-N-HEPTYLOXYBENZOYL CHLORIDE
- Benzoyl chloride,4-(heptyloxy)-
- p-(Heptyloxy)benzoyl Chloride
- 4-(Heptyloxy)benzoic chloride
- 4-(n-heptyloxy)benzoyl chloride
- 4-heptyloxy benzoyl chloride
- 4-heptyloxybenzoic acid chloride
- EINECS 255-077-5
- p-heptyloxybenzoyl chloride
- 4-(Heptyloxy)benzoyl chloride
- DTXSID70961199
- 4-n-Heptyloxybenzoylchloride
- FT-0616778
- SCHEMBL1019300
- Benzoyl chloride, 4-(heptyloxy)-
- NS00056400
- AKOS015889284
- 4-Heptyloxybenzoyl chloride
- 40782-54-5
-
- Inchi： 1S/C14H19ClO2/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3
- InChI Key： OTHIDQZVUQAMEW-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)OCCCCCCC)=O
Computed Properties
- Exact Mass: 254.10700
- Monoisotopic Mass: 254.107358
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 210
- 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: 26.3
Experimental Properties
- Color/Form: Transparent light yellow liquid
- Density: 1.061?g/mL?at 25?°C(lit.)
- Melting Point: 226-227 oC
- Boiling Point: 226-227?°C30?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.533(lit.)
- PSA: 26.30000
- LogP: 4.41480
Benzoyl chloride,4-(heptyloxy)- Security Information
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34-36/37
- Safety Instruction： S26; S27; S28; S36/37/39; S45
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：III
- Packing Group：III
- Risk Phrases：R34; R36/37
Benzoyl chloride,4-(heptyloxy)- Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Benzoyl chloride,4-(heptyloxy)- Related Literature
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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