Basic information
- CAS
65911-46-8- Standard SMILES
NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O- InChIKey
QYLIVYPDIARSHA-UHFFFAOYSA-N- Molecular formula
- C8H6N2O5
- Average molar mass
- 210.14 g/mol
- Monoisotopic mass
- 210.02767129
Names & identifiers
- Preferred name
- 2-Carbamoyl-6-nitrobenzoic Acid
- IUPAC
- 2-carbamoyl-6-nitrobenzoic acid
- English name
- 2-Carbamoyl-6-nitrobenzoic Acid
- Molecular formula
- C8H6N2O5
- Molecular weight
- 210.14
Names & synonyms
2-Carbamoyl-6-nitrobenzoic Acid65911-46-8DTXSID90404659RefChem:258148DTXCID10355513667-303-3107990-50-13-Nitrophthalic mono amideMFCD000889523-Nitrophthalicmonoamide2-carbamoyl-6-nitro-benzoic Acid2-Carbamoyl-6-nitrobenzoicAcid
Show more names
2-(Aminocarbonyl)-6-nitroBenzoic acidBenzoic acid, 2-(aminocarbonyl)-6-nitro-
6-Nitrophthalamic acidBenzoicacid, 2-(aminocarbonyl)-6-nitro-SCHEMBL282685QYLIVYPDIARSHA-UHFFFAOYSA-NAC7514AKOS005152006AKOS005208693AC-2896
Database identifiers
- CAS
65911-46-8- PubChem CID
- 4592748
- DTXSID
DTXSID90404659- EC Number
- 667-303-3
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
- Boiling point
- 394.2 · 394.2±32.0 °C(Predicted)
- Density
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.93 · 1.93±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
成都零六生物科技有限公司
Related reactions
5 records
Compound notes
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