Basic information
- CAS
259199-82-1- Standard SMILES
Nc1ccc(N=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
KJNBDJZDRNLJJG-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.08512659
Names & identifiers
- Preferred name
- Benzoic acid, 4-[2-(4-aminophenyl)diazenyl]-
- IUPAC
- 4-[(4-aminophenyl)diazenyl]benzoic acid
- English name
- p-[(p-aminophenyl)azo]benzoic acid
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
Benzoic acid, 4-[(4-aminophenyl)azo]-4-Aminoazobenzene-4'-carboxylic acidBenzoic acid, p-((p-aminophenyl)azo)-EINECS 230-047-4NSC 604144-[(E)-2-(4-aminophenyl)diazen-1-yl]benzoic acidBenzoic acid, 4-((4-aminophenyl)azo)-AI3-52563Benzoic acid, 4-(2-(4-aminophenyl)diazenyl)-Benzoic acid, p-[(p-aminophenyl)azo]-Benzoic acid, 4-[2-(4-aminophenyl)diazenyl]-4-((E)-2-(4-aminophenyl)diazen-1-yl)benzoic acid
Show more names
4-(4-Aminophenylazo)benzoic acid
RefChem:565887831-774-56925-48-0p-[(p-aminophenyl)azo]benzoic acid4-((4-Aminophenyl)diazenyl)benzoic acid4-[(4-aminophenyl)diazenyl]benzoic acid4-(p-Aminophenylazo)benzoic acid4-[(4-Aminophenyl)azo]benzoic acid
Database identifiers
- CAS
259199-82-1、6925-48-0、787529-91-3- PubChem CID
- 81343
- DTXSID
DTXSID9064506- UNII
- RBR7LFA3HU
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 485.4 · 485.4±25.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.79 · 3.79±0.10(Predicted)
- Appearance
- Brown to dark brown Solid
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[(4-aminophenyl)azo]- (6925-48-0)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302+H332-H341-H350-H373-H410
- Precautionary statements
- 201 · P201-P273-P281-P308+P313-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H302+H332-H341-H350-H373-H410
- Precautionary statements
- P201-P273-P281-P308+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-(4-aminophenyl)diazenyl]-: INACTIVE
Suppliers17 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海伍平生物科技有限公司18501609135 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Related reactions
1 records
Compound notes
Loading…