Basic information
- CAS
14625-39-9- Standard SMILES
O=[N+]([O-])c1ccc2nc(CCl)[nH]c2c1- InChIKey
ZGYRZVYKZIVFSP-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O2
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0148541
Names & identifiers
- Preferred name
- 2-Chloromethyl-6-nitro-1H-benzoimidazole
- IUPAC
- 2-(chloromethyl)-6-nitro-1H-benzimidazole
- English name
- 2-(CHLOROMETHYL)-6-NITRO-1H-BENZO[D]IMIDAZOLE
- Molecular formula
- C8H6ClN3O2
- Molecular weight
- 211.61
Names & synonyms
2-CHLOROMETHYL-6-NITRO-1H-BENZOIMIDAZOLERefChem:470481692-319-214625-39-92-(CHLOROMETHYL)-6-NITRO-1H-BENZO[D]IMIDAZOLE2-(chloromethyl)-5-nitro-1H-benzimidazole2-(chloromethyl)-6-nitro-1H-benzimidazole1H-Benzimidazole, 2-(chloromethyl)-6-nitro-MFCD01785201NSC402580MFCD000877672-(chloromethyl)-5-nitro-1H-1,3-benzodiazole
Show more names
2-(chloroMethyl)-6-nitro-1HbenziMidazole
2-(CHLOROMETHYL)-5-NITRO-1H-BENZO[D]IMIDAZOLE2-Chloromethyl-5-nitro-1H-benzoimidazole1H-Benzimidazole,2-(chloromethyl)-6-nitro-2-(chloromethyl)-6-nitro-1H-1,3-benzodiazoleSCHEMBL522319SCHEMBL1539990DTXSID80322974ZGYRZVYKZIVFSP-UHFFFAOYSA-N
Database identifiers
- CAS
14625-39-9- PubChem CID
- 345166
- DTXSID
DTXSID80322974- EC Number
- 692-319-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_class
- IRRITANT
- Hazard statements
- H301-H311-H331-H341
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
安徽凯泽合联医药科技有限公司
Related reactions
1 records
Compound notes
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