2-CHLORO-6-METHYLPHENYL ISOCYANATE (CAS 40398-01-4) — formula C8H6ClNO, molecular weight 167.59; category organic chemicals.
| CAS Number | 40398-01-4 |
|---|---|
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.59 |
| LogP | 3.7 |
| Category | Organic Chemicals |
2-CHLORO-6-METHYLPHENYL ISOCYANATE is a carbon-based organic compound with CAS registry number 40398-01-4 and molecular formula C8H6ClNO (molecular weight 167.59), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40398-01-4
Its molecular formula C8H6ClNO comprises 8 C, 6 H, 1 Cl, 1 N, 1 O atoms.
Also known as: 2-CHLORO-6-METHYLPHENYL ISOCYANATE · 2-氯-6-甲基苯基 异氰酸酯, 97%
Category: organic chemicals
The CAS registry number of 2-CHLORO-6-METHYLPHENYL ISOCYANATE is 40398-01-4.
Molecular formula C8H6ClNO, molecular weight 167.59.
It is also registered under: 2-CHLORO-6-METHYLPHENYL ISOCYANATE, 2-氯-6-甲基苯基 异氰酸酯, 97%.
Category: Organic Chemicals.
Independent reference data for 2-CHLORO-6-METHYLPHENYL ISOCYANATE (CAS 40398-01-4), compiled from public chemistry databases.
| CAS 号 | 40398-01-4 |
|---|---|
| PubChem CID | 268123 |
| 分子式 | C8H6ClNO |
| IUPAC 名称 | 1-chloro-2-isocyanato-3-methylbenzene |
| UNII（FDA） | ST50824914 |
| Molecular Weight | 167.59 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.0137915 |
| Monoisotopic Mass | 167.0137915 |
| Topological Polar Surface Area | 29.4 |
| Heavy Atom Count | 11 |
2-Chloro-6-methylphenyl isocyanate; 40398-01-4; DTXSID90296192; RefChem:86353; DTXCID80247330; 626-596-8; FBTQQNYGMICJQZ-UHFFFAOYSA-N; InChI=1/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H; 1-chloro-2-isocyanato-3-methylbenzene; 2-Chloro-6-methylphenylisocyanate; MFCD00037030; 1-Chloro-2-Isocyanato-3-Methyl-Benzene; Benzene, 1-chloro-2-isocyanato-3-methyl-; NSC108229; SCHEMBL160980; SCHEMBL30390691
| 已通报的危害声明 | H302 (90.7%), H312 (90.7%), H315 (100%), H319 (100%), H332 (90.7%), H334 (11.6%), H335 (100%) |
|---|
2-氯-6-甲基苯基 异氰酸酯, 97% · CAS 40398-01-4 · C8H6ClNO. UNII ST50824914.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-氯-6-甲基苯基 异氰酸酯, 97%