Cas no 40398-01-4 (1-Chloro-2-isocyanato-3-methylbenzene)
40398-01-4 structure
Product Name:1-Chloro-2-isocyanato-3-methylbenzene
CAS No:40398-01-4
MF:C8H6ClNO
MW:167.592340946198
MDL:MFCD00037030
CID:89426
PubChem ID:268123
Update Time:2025-04-18
1-Chloro-2-isocyanato-3-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-6-methylphenyl isocyanate
- 1-chloro-2-isocyanato-3-methylbenzene
- 1-chloro-2-isocyanato-3-methyl-benzene
- 2-methyl-6-chlorophenyl isocyanate
- InChI=1/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H
- FT-0601944
- 40398-01-4
- EN300-270974
- 2-Chloro-6-methylphenylisocyanate
- GEO-00721
- MFCD00037030
- 2-Chloro-6-methylphenyl isocyanate, 97%
- 2-chloro 6-methyl phenyl isocyanate
- NSC-108229
- W-200354
- Benzene, 1-chloro-2-isocyanato-3-methyl-
- AKOS005258122
- 2-chloro 6-methyl phenylisocyanate
- SCHEMBL160980
- D96311
- 2-chloro-1-isocyanato-6-methyl benzene
- NSC108229
- A825091
- BP-11497
- 1-chloranyl-2-isocyanato-3-methyl-benzene
- DTXSID90296192
- DB-020895
- DTXCID80247330
- 626-596-8
- 1-Chloro-2-isocyanato-3-methylbenzene
-
- MDL： MFCD00037030
- Inchi： 1S/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
- InChI Key： FBTQQNYGMICJQZ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C)=C1N=C=O
- BRN： 2690768
Computed Properties
- Exact Mass: 167.01400
- Monoisotopic Mass: 167.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.7
- Topological Polar Surface Area: 29.4A^2
Experimental Properties
- Color/Form: liquid
- Density: 1.231?g/mL?at 25?°C(lit.)
- Boiling Point: 80?°C2?mm Hg(lit.)
- Flash Point: 225?°F
- Refractive Index: n20/D 1.555(lit.)
- PSA: 29.43000
- LogP: 2.61570
- Sensitiveness: Moisture Sensitive/Lachrymatory
- Solubility: Soluble
1-Chloro-2-isocyanato-3-methylbenzene Security Information
- Hazard Statement： Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- 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：6.1
- PackingGroup：III
- Risk Phrases：R20/21/22
- Packing Group：III
- Safety Term：6.1
- Packing Group：III
- Hazard Level：6.1
1-Chloro-2-isocyanato-3-methylbenzene Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. 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:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1-Chloro-2-isocyanato-3-methylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C645055-500mg |
1-Chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 500mg |
$64.00 | 2023-05-18 | ||
| abcr | AB179297-1 g |
2-Chloro-6-methylphenyl isocyanate, 97%; . |
40398-01-4 | 97% | 1 g |
€52.90 | 2023-07-20 | |
| abcr | AB179297-5 g |
2-Chloro-6-methylphenyl isocyanate, 97%; . |
40398-01-4 | 97% | 5 g |
€99.00 | 2023-07-20 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L11645-1g |
2-Chloro-6-methylphenyl isocyanate, 97% |
40398-01-4 | 97% | 1g |
￥353.00 | 2023-03-02 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L11645-5g |
2-Chloro-6-methylphenyl isocyanate, 97% |
40398-01-4 | 97% | 5g |
￥1410.00 | 2023-03-02 | |
| Enamine | EN300-270974-0.1g |
1-chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 0.1g |
$490.0 | 2023-09-11 | ||
| Enamine | EN300-270974-0.25g |
1-chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 0.25g |
$513.0 | 2023-09-11 | ||
| Enamine | EN300-270974-0.5g |
1-chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 0.5g |
$535.0 | 2023-09-11 | ||
| Enamine | EN300-270974-1.0g |
1-chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 1g |
$0.0 | 2023-06-06 | ||
| Enamine | EN300-270974-2.5g |
1-chloro-2-isocyanato-3-methylbenzene |
40398-01-4 | 2.5g |
$1089.0 | 2023-09-11 |
1-Chloro-2-isocyanato-3-methylbenzene Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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