Basic information
- CAS
77326-45-5- Standard SMILES
NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]- InChIKey
IGLWGHRTQOYFDV-UHFFFAOYSA-N- Molecular formula
- C8H6N2O5
- Average molar mass
- 210.14 g/mol
- Monoisotopic mass
- 210.0276713
Names & identifiers
- Preferred name
- 2-Carbamoyl-3-nitrobenzoic acid
- IUPAC
- 2-carbamoyl-3-nitrobenzoic acid
- English name
- 2-Aminocarbonyl-3-nitrobenzoic acid
- Molecular formula
- C8H6N2O5
- Molecular weight
- 210.14
Names & synonyms
2-carbamoyl-3-nitrobenzoic acid77326-45-5DTXSID70331338RefChem:258146DTXCID702824323-Nitrophthalamic acid3-Nitro-phthalamic acid2-carbamoyl-3-nitro-benzoic acid6-nitro-2-carboxybenzamide2-Carboxy-6-nitrobenzamideSCHEMBL2826842-carbamoyl-3-nitrobenzoicacid
Show more names
RSSYY(Iberdomide)-142-Aminocarbonyl-3-nitrobenzoic acidBenzoic acid, 2-(aminocarbonyl)-3-nitro-
IGLWGHRTQOYFDV-UHFFFAOYSA-NCDA32645MFCD08445350SBB014369STK689836AKOS005602286DB-050240ST4134105
Database identifiers
- CAS
77326-45-5- PubChem CID
- 437547
- DTXSID
DTXSID70331338
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 153 · 153-155 °C
- Boiling point
- 398.5 · 398.5±32.0 °C(Predicted)
- Density
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.86 · 2.86±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
重庆科脉材料科技有限公司17830741407 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
天津安浩生物科技有限公司[email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海智乾生物科技有限公司[email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
重庆卡兰医药有限公司[email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
14 records
Compound notes
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