Basic information
- CAS
500577-99-1- Standard SMILES
Nc1c(F)cc(C(=O)O)cc1F- InChIKey
MJHZRTJMDQYAHN-UHFFFAOYSA-N- Molecular formula
- C7H5F2NO2
- Average molar mass
- 173.12 g/mol
- Monoisotopic mass
- 173.02883473
Names & identifiers
- Preferred name
- 4-Amino-3,5-difluorobenzoic acid
- IUPAC
- 4-amino-3,5-difluorobenzoic acid
- English name
- 4-Amino-3,5-difluorobenzoic acid
- Molecular formula
- C7H5F2NO2
- Molecular weight
- 173.12
Names & synonyms
4-amino-3,5-difluorobenzoic acid500577-99-1DTXSID10300184RefChem:289877DTXCID60251319867-248-74-Amino-3,5-difluoro-benzoic acid4-Amino-3,5-difluorobenzoicacidMFCD03407440Benzoic acid, 4-amino-3,5-difluoro-NSC135302NSC-135302
Show more names
NSC 135302
SY035420CS-0028247EN300-98413doi:10.14272/MJHZRTJMDQYAHN-UHFFFAOYSA-N.1AMY6473SCHEMBL10191704-ammo-3,5-difluorobenzoic acidAKOS012489412
Database identifiers
- CAS
500577-99-1- PubChem CID
- 282133
- DTXSID
DTXSID10300184- EC Number
- 867-248-7
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 294.2 · 294.2±40.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.18 · 4.18±0.10(Predicted)
- form
- powder
- color
- Faint to light orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-3,5-difluorobenzoic Acid can be used to treat gastric cancer.
Upstream & downstream products
Upstream raw materials
Suppliers81 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Related reactions
3 records
Compound notes
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