Basic information
- Standard SMILES
NCc1ccc([N+](=O)[O-])cc1- InChIKey
ODVBBZFQPGORMJ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Nitrobenzylamine
- IUPAC
- (4-nitrophenyl)methanamine
- English name
- 4-nitrobenzylamine
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
4-Nitrobenzylamine7409-30-5para-NitrobenzylamineDTXSID50224996RefChem:100057DTXCID80147487(4-nitrophenyl)methanamine1-((4-Nitrophenyl))methanamineP-NITRO-BENZYLAMINEBenzenemethanamine, 4-nitro-1-(4-nitrophenyl)methanamineCHEMBL1235374
Show more names
1-((4-Nitrophenyl)4-Nitrobenzenemethanamine(4-Nitrophenylmethyl)amine4-nitrobenzylamine ISO 9001：2015 REACH
p-nitrobenzylamineMFCD03411004PNZ4-nitro-benzylamine4-nitrobenzyl aminebenzylamine, 4-nitro-(4-nitro-benzyl)-amineSCHEMBL354332
Database identifiers
- CAS
7409-30-5- PubChem CID
- 29147
- DTXSID
DTXSID50224996- ChEMBL
CHEMBL1235374- Nikkaji
- J221.245E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
LogP1.06
Physicochemical properties
- Melting point
- 117 · 117-119℃
- Boiling point
- 298 ℃ · 298℃
- Density
- 1.254 · 1.254
- Flash point
- 134 ℃ · 134℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 8.36 · 8.36±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Suppliers26 total
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉至精诚医药技术有限公司13871097899
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
百益化学（连云港）有限公司18552648286 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
台州市创源工业技术有限公司0576-85289468; 13757609826 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
山东凡德医药科技有限公司0531-00000000 15552883993 · [email protected]
山东滨晨化工有限公司15866994906 13837799094 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
Related reactions
70 records
Linked notes
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