Basic information
- CAS
1093203-96-3- Standard SMILES
N#Cc1ccc(O)cc1[N+](=O)[O-]- InChIKey
LQRAMXMRWNDIMB-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3
- Average molar mass
- 164.12 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-2-nitrobenzonitrile
- IUPAC
- 4-hydroxy-2-nitrobenzonitrile
- English name
- 4-Hydroxy-2-nitrobenzonitrile
- Molecular formula
- C7H4N2O3
- Molecular weight
- 164.12
Names & synonyms
4-HYDROXY-2-NITROBENZONITRILE1093203-96-3RefChem:523762983-482-3MFCD155273424-hydroxy-2-nitro-benzonitrileSCHEMBL2418556LQRAMXMRWNDIMB-UHFFFAOYSA-NBenzonitrile, 4-hydroxy-2-nitro-AKOS017514877DS-18923SY121193
Show more names
CS-0187016C71332EN300-3186198
Database identifiers
- CAS
1093203-96-3- PubChem CID
- 53418121
- EC Number
- 983-482-3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 396.2 · 396.2±37.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6 · 6.00±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
2 records
Compound notes
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