Basic information
- CAS
14579-97-6- Standard SMILES
NNC(=O)Cc1ccc(Br)cc1- InChIKey
CAVXKYRRHDMKIP-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.98983
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)ethanehydrazonic acid
- IUPAC
- 2-(4-bromophenyl)acetohydrazide
- English name
- 2-(p-Bromophenyl)acetyl hydrazide
- Molecular formula
- C8H9BrN2O
- Molecular weight
- 229.07
Names & synonyms
DTXSID009326952-(4-Bromophenyl)ethanehydrazonic acidRefChem:1061181DTXCID9013613792-(4-bromophenyl)acetohydrazide57676-50-3MFCD02612352BRN 3129728Oprea1_792152SCHEMBL12941833ALBB-001041(4-Bromophenyl)ethanehydrazonic acid
Show more names
N'-(4-Bromophenyl)acetohydrazide2-(p-Bromophenyl)acetyl hydrazideAcetic acid, 2-(4-bromophenyl)hydrazideN-Acetyl-N'-(4-bromophenyl)hydrazine, Acetic acid N'-(4-bromophenyl)hydrazide
BBL015374STK066737AKOS000150900SB86132VS-04936CS-0206005ST50828570F78385
Database identifiers
- CAS
14579-97-6- PubChem CID
- 26741
- DTXSID
DTXSID00932695
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 265.8 · 265.8±32.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.62 · 12.62±0.23(Predicted)
- HS Code
- 2928009090 · 2928009090
- Toxicity
- 50 · mouse,LD50,oral,320mg/kg (320mg/kg),Pharmaceutical Chemistry Journal Vol. 14, Pg. 162, 1980.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2928009090
- Toxicity
- mouse,LD50,oral,320mg/kg (320mg/kg),Pharmaceutical Chemistry Journal Vol. 14, Pg. 162, 1980.
Chemistry & industry
Suppliers13 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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