Basic information
- CAS
1020934-33-1- Standard SMILES
O=C(O)c1ccc(-n2cncn2)c(F)c1- InChIKey
FYAPQLBJDAVMRQ-UHFFFAOYSA-N- Molecular formula
- C9H6FN3O2
- Average molar mass
- 207.16 g/mol
Names & identifiers
- Preferred name
- 3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
- IUPAC
- 3-fluoro-4-(1,2,4-triazol-1-yl)benzoic acid
- English name
- 3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
- Molecular formula
- C9H6FN3O2
- Molecular weight
- 207.16
Names & synonyms
3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoic acid1020934-33-1RefChem:501694844-093-33-fluoro-4-(1,2,4-triazol-1-yl)benzoic acidSCHEMBL12490579SCHEMBL29664608FYAPQLBJDAVMRQ-UHFFFAOYSA-NVQB93433MFCD11156563AKOS000260569SY195391
Show more names
Benzoic acid, 3-fluoro-4-(1H-1,2,4-triazol-1-yl)-
DB-122707CS-0263666EN300-887313-fluoro-4-[1,2,4]triazol-1-yl-benzoic acid3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoicacid3-Fluoro-4-(1H-1,2,4-triazol-1-yl)-benzoic acidZ335441474
Database identifiers
- CAS
1020934-33-1- PubChem CID
- 28604576
- EC Number
- 844-093-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
吉林中科研伸科技有限公司18143011203 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
5 records
Compound notes
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