Cas no 19241-34-0 (2-Chloro-6-methylphenyl Isothiocyanate)
2-Chloro-6-methylphenyl Isothiocyanate is a specialized organic compound featuring an isothiocyanate functional group bonded to a chloro- and methyl-substituted phenyl ring. This structure imparts reactivity suitable for applications in organic synthesis, particularly in the preparation of thiourea derivatives and heterocyclic compounds. Its electrophilic nature allows for efficient nucleophilic addition reactions, making it valuable in pharmaceutical and agrochemical research. The chloro and methyl substituents enhance its stability and influence regioselectivity in subsequent transformations. The compound is typically handled under controlled conditions due to its sensitivity to moisture and potential irritancy. It is commonly used in small-scale synthetic workflows requiring precise functionalization.
19241-34-0 structure
Product Name:2-Chloro-6-methylphenyl Isothiocyanate
CAS No:19241-34-0
MF:C8H6ClNS
MW:183.657939434052
MDL:MFCD00039643
CID:133908
PubChem ID:3731725
Update Time:2025-06-07
2-Chloro-6-methylphenyl Isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-chloro-2-isothiocyanato-3-methyl-
- 2-chloro-6-methylphenyl isothiocyanate
- 1-chloro-2-isothiocyanato-3-methylbenzene
- 3-Chloro-2-isothiocyanatotoluene
- 6-CHLORO-2-METHYLPHENYLISOCYANATE
- 2-CHLORO-6-METHYLPHENYL ISOCYANATE
- 3-Chloro-2-isothiocyanatotoluene, 1-Chloro-2-isothiocyanato-3-methylbenzene
- 2-Chloro-6-methylphenylisothiocyanate
- MFCD00039643
- AKOS006227798
- BP-13233
- FT-0611882
- A12201
- DTXSID70395657
- 19241-34-0
- 2-chloro-6-methyl-phenyl isothiocyanate
- Benzene, 1-chloro-2-isothiocyanato-3-methyl-
- SCHEMBL1457069
- PS-10302
- SY064486
- 2-chloro-6-methylphenyl-isothiocyanate
- MLQPKPCDKLACIG-UHFFFAOYSA-N
- DB-020896
- 2-Chloro-6-methylphenyl Isothiocyanate
-
- MDL： MFCD00039643
- Inchi： 1S/C8H6ClNS/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
- InChI Key： MLQPKPCDKLACIG-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C)=C1N=C=S
Computed Properties
- Exact Mass: 182.99100
- Monoisotopic Mass: 182.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- 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
- Topological Polar Surface Area: 44.4A^2
- XLogP3: 4.3
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.231?g/mL?at 25?°C(lit.)
- Melting Point: No data available
- Boiling Point: 80?°C2?mm Hg(lit.)
- Flash Point: 225?°F
- Refractive Index: n20/D 1.555(lit.)
- PSA: 44.45000
- LogP: 3.38270
- Sensitiveness: Moisture Sensitive/Lachrymatory
- Vapor Pressure: 0.1±0.4 mmHg at 25°C
2-Chloro-6-methylphenyl Isothiocyanate Security Information
- Signal Word：warning
- Hazard Statement： Toxic/Corrosive/Lachrymatory/Moisture Sensitive
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：UN 2206 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- HazardClass：TOXIC
- Safety Term：S26-36/37/39
- Risk Phrases：R20/21/22
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Chloro-6-methylphenyl Isothiocyanate Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. 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:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Chloro-6-methylphenyl Isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 008764-5g |
2-Chloro-6-methylphenyl isothiocyanate |
19241-34-0 | 98% | 5g |
￡90.00 | 2022-03-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C859692-1g |
2-Chloro-6-methylphenyl isothiocyanate |
19241-34-0 | ≥98% | 1g |
394.20 | 2021-05-17 | |
| TRC | C602075-100mg |
2-Chloro-6-methylphenyl Isothiocyanate |
19241-34-0 | 100mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C602075-500mg |
2-Chloro-6-methylphenyl Isothiocyanate |
19241-34-0 | 500mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C602075-1g |
2-Chloro-6-methylphenyl Isothiocyanate |
19241-34-0 | 1g |
$ 95.00 | 2022-06-06 | ||
| Fluorochem | 008764-1g |
2-Chloro-6-methylphenyl isothiocyanate |
19241-34-0 | 98% | 1g |
￡24.00 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056968-2g |
2-Chloro-6-methylphenyl isothiocyanate |
19241-34-0 | 98% | 2g |
1446CNY | 2021-05-07 | |
| Apollo Scientific | OR28910-1g |
2-Chloro-6-methylphenyl isothiocyanate |
19241-34-0 | 1g |
￡72.00 | 2023-09-02 | ||
| abcr | AB225599-5 g |
2-Chloro-6-methylphenyl isothiocyanate, 95%; . |
19241-34-0 | 95% | 5 g |
€156.40 | 2023-07-20 | |
| abcr | AB225599-25 g |
2-Chloro-6-methylphenyl isothiocyanate, 95%; . |
19241-34-0 | 95% | 25 g |
€385.80 | 2023-07-20 |
2-Chloro-6-methylphenyl Isothiocyanate Related Literature
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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