Basic information
- CAS
24340-77-0- Standard SMILES
Brc1cnsc1- InChIKey
XAGKUQWKQVTDSK-UHFFFAOYSA-N- Molecular formula
- C3H2BrNS
- Average molar mass
- 164.03 g/mol
- Monoisotopic mass
- 162.90913
Names & identifiers
- Preferred name
- 4-Bromo-isothiazole
- IUPAC
- 4-bromo-1,2-thiazole
- English name
- 4-BROMO-ISOTHIAZOLE
- Molecular formula
- C3H2BrNS
- Molecular weight
- 164.02
Names & synonyms
4-bromo-IsothiazoleRefChem:520377801-808-34-BROMOISOTHIAZOLE24340-77-04-bromo-1,2-thiazoleMFCD06657593Isothiazole, 4-bromo-4-(Bromo)isothiazoleSCHEMBL193319SCHEMBL671507SCHEMBL2039829
Show more names
4-Bromoisothiazole USP/EP/BP4-Bromoisothiazole≥ 95% (NMR)
DTXSID20409450XAGKUQWKQVTDSK-UHFFFAOYSA-NSBB013032AKOS005621106AB25618DS-10962ST091799SY009259
Database identifiers
- CAS
24340-77-0- PubChem CID
- 5200358
- DTXSID
DTXSID20409450- EC Number
- 801-808-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 50
Physicochemical properties
- Boiling point
- 83.5 · 83.5±23.0 °C(Predicted)
- Density
- 1.857 · 1.857±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.59 · 1.59±0.22(Predicted)
- form
- solid
- color
- Light Yellow
- InChI
- InChI=1S/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H
- InChIKey
- XAGKUQWKQVTDSK-UHFFFAOYSA-N
- SMILES
- S1C=C(Br)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
201 records
Compound notes
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