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Basic information
- CAS
304660-39-7- Standard SMILES
O=C(CCCl)n1nnc2ccccc21- InChIKey
HSMGLVQSVHKLFX-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O
- Average molar mass
- 209.636 g/mol
- Monoisotopic mass
- 209.03558956
Names & identifiers
- Preferred name
- 1-(3-Chloropropionyl)-1H-benzotriazole
- IUPAC
- 1-(1H-Benzotriazol-1-yl)-3-chloropropan-1-one
- English name
- 1-(2-Chloroacethylcarbonyl)-1H-benzotri&
- Molecular formula
- C9H8ClN3O
- Molecular weight
- 209.63
Names & synonyms
1-(2-Chloroacethylcarbonyl)-1H-benzotri&1-(3-Chloropropionyl)-1H-benzotriazole1-Propanone, 1-(1H-benzotriazol-1-yl)-3-chloro-
Database identifiers
- CAS
304660-39-7- PubChem CID
- 3772668
- DTXSID
DTXSID80396216- EC Number
- 687-475-3
Properties
Physicochemical properties
- Melting point
- 76 · 76-80 °C (lit.)
- form
- solid
- InChI
- 1S/C9H8ClN3O/c10-6-5-9(14)13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2
- InChIKey
- HSMGLVQSVHKLFX-UHFFFAOYSA-N
- SMILES
- ClCCC(=O)n1nnc2ccccc12
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广州致雅医药科技有限公司18122150900 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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