Basic information
- CAS
54464-13-0- Standard SMILES
Nc1n[nH]c(-c2ccc(Br)cc2)n1- InChIKey
VXTCEROZEXTJAB-UHFFFAOYSA-N- Molecular formula
- C8H7BrN4
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.98541
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-(4-bromophenyl)-1H-1,2,4-triazol-3-amine
- English name
- 5-(4-Bromophenyl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C8H7BrN4
- Molecular weight
- 239.07
Names & synonyms
5-(4-bromophenyl)-4H-1,2,4-triazol-3-amine54464-13-0DTXSID00355209RefChem:299824DTXCID30306269827-205-55-(4-bromophenyl)-1H-1,2,4-triazol-3-amineMFCD008467053-(4-bromophenyl)-1H-1,2,4-triazol-5-amine5-Amino-3-(4-bromophenyl)-1H-1,2,4-triazoleChemDiv3_008935Cambridge id 5309833
Show more names
1H-1,2,4-Triazol-5-amine, 3-(4-bromophenyl)-
1H-1,2,4-Triazol-5-amine,3-(4-bromophenyl)-CHEMBL497921SCHEMBL2279531SCHEMBL5219548SCHEMBL8729070HMS1498G03AKOS000154140AKOS002783582
Database identifiers
- CAS
54464-13-0- PubChem CID
- 794036
- DTXSID
DTXSID00355209- ChEMBL
CHEMBL497921- EC Number
- 827-205-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Density
- 1.732 · 1.732
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (100%): 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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