Basic information
- CAS
138907-85-4- Standard SMILES
O=C(O)c1cnn(-c2ccc(Br)cc2)c1- InChIKey
GOJGAUFDFLULIK-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2O2
- Average molar mass
- 267.08 g/mol
- Monoisotopic mass
- 265.96909
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(4-bromophenyl)pyrazole-4-carboxylic acid
- English name
- 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
- Molecular formula
- C10H7BrN2O2
- Molecular weight
- 267.08
Names & synonyms
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid138907-85-4RefChem:74422844-528-7MFCD099417361-(4-Bromo-phenyl)-1H-pyrazole-4-carboxylic acid1-(4-bromophenyl)pyrazole-4-carboxylic AcidSCHEMBL28566511H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(4-BROMOPHENYL)DTXSID901242040NFA90785AKOS000182742
Show more names
1-(4-Bromophenyl)-1h-pyrazole-4-carboxylic acid - [B93229]
AS-5828SY174403CS-0249618EN300-44129F701431-(4-bromophenyl)-1H-pyrazole-4-carboxylicacidAB01002658-01F316789
Database identifiers
- CAS
138907-85-4- PubChem CID
- 11601417
- DTXSID
DTXSID901242040- EC Number
- 844-528-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 202 · 202-203 °C
- Boiling point
- 419.6 · 419.6±25.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.66 · 3.66±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers17 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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