Basic information
- CAS
4461-34-1- Standard SMILES
O=C=NC(=O)c1ccccc1Cl- InChIKey
ZTUIVBFRTPPWEZ-UHFFFAOYSA-N- Molecular formula
- C8H4ClNO2
- Average molar mass
- 181.57 g/mol
- Monoisotopic mass
- 180.99305605
Names & identifiers
- Preferred name
- 2-Chlorobenzoyl isocyanate
- IUPAC
- 2-chlorobenzoyl isocyanate
- English name
- 2-Chlorobenzoyl isocyanate
- Molecular formula
- C8H4ClNO2
- Molecular weight
- 181.58
Names & synonyms
2-CHLOROBENZOYL ISOCYANATE4461-34-1DTXSID70433109RefChem:259465DTXCID103839372-chlorobenzoylisocyanatechlorobenzoyl isocyanateMFCD10566392o-chlorobenzoyl isocyanateSCHEMBL2844572ZTUIVBFRTPPWEZ-UHFFFAOYSA-NAKOS006303595
Show more names
Benzoyl isocyanate, 2-chloro-N-(2-Chlorobenzoyl) isocyanate
AS-16158
Database identifiers
- CAS
4461-34-1- PubChem CID
- 9942311
- DTXSID
DTXSID70433109
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 250 °C · 250 °C
- Density
- 1.28 · 1.28
- Flash point
- 95 °C · 95 °C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers11 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
58 records
Compound notes
Loading…