Basic information
- CAS
5334-28-1- Standard SMILES
N#Cc1cnn(-c2ccc(Br)cc2)c1N- InChIKey
VWTGKVYPKFTDSL-UHFFFAOYSA-N- Molecular formula
- C10H7BrN4
- Average molar mass
- 263.09 g/mol
- Monoisotopic mass
- 261.98541
Names & identifiers
- Preferred name
- 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile
- English name
- 5-AMINO-1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
- Molecular formula
- C10H7BrN4
- Molecular weight
- 263.09
Names & synonyms
5-amino-1-(4-bromophenyl)-1h-pyrazole-4-carbonitrileDTXSID30277263RefChem:531988DTXCID20228421839-650-25334-28-15-amino-1-(4-bromophenyl)pyrazole-4-carbonitrileMFCD001282921H-Pyrazole-4-carbonitrile, 5-amino-1-(4-bromophenyl)-NSC1398-1H-pyrazole-4-carbonitrile5-Amino-1-(4-bromophenyl)
Show more names
5-amino-1 - (4-bromophenyl) - 1h-pyrazole-4-methylnitrile
SCHEMBL4700651BUTTPARK 87\09-39VWTGKVYPKFTDSL-UHFFFAOYSA-NNSC-1398SBB102623AKOS000260669DS-6684SY115990
Database identifiers
- CAS
5334-28-1- PubChem CID
- 219733
- DTXSID
DTXSID30277263- EC Number
- 839-650-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 168 · 168-170℃
- Density
- 1.66 · 1.66
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H332-H312-H315-H335
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H332-H312-H315-H335
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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