Basic information
- CAS
64630-00-8- Standard SMILES
N#Cc1ccc(C(=O)O)c(N)c1- InChIKey
LTYSISNGLCCCBW-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- 2-Amino-4-cyanobenzoic acid
- IUPAC
- 2-amino-4-cyanobenzoic acid
- English name
- 2-Amino-4-cyanobenzoic acid
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
2-Amino-4-cyanobenzoic acid64630-00-8RefChem:464277894-440-8MFCD206389132-amino-4-cyano-benzoic AcidBenzoic acid, 2-amino-4-cyano-2-amino-4Cyanobenzoic acid2-Amino-4-cyanobenzoicacidSCHEMBL3609438LTYSISNGLCCCBW-UHFFFAOYSA-NPCA63000
Show more names
CL9383AKOS027254786SB76115AS-46322DA-41800SY143415CS-0102040EN300-108005
Database identifiers
- CAS
64630-00-8- PubChem CID
- 10351981
- EC Number
- 894-440-8
- Nikkaji
- J612.094F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 207 °C · >207°C (dec.)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
韶远科技(上海)有限公司4000665055 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.
Related reactions
1 records
Compound notes
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