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Basic information
- CAS
18895-10-8- Standard SMILES
N#Cc1cscc1Br- InChIKey
RTOSSMAWCKNWFX-UHFFFAOYSA-N- Molecular formula
- C5H2BrNS
- Average molar mass
- 188.05 g/mol
- Monoisotopic mass
- 186.90913216
Names & identifiers
- Preferred name
- 4-Bromothiophene-3-carbonitrile
- IUPAC
- 4-bromothiophene-3-carbonitrile
- English name
- 4-Bromo-3-cyanothiophene
- Molecular formula
- C5H2BrNS
- Molecular weight
- 188.05
Names & synonyms
4-bromothiophene-3-carbonitrile18895-10-8DTXSID80358516RefChem:291157DTXCID103095713-BROMO-4-CYANOTHIOPHENE4-BROMO-3-CYANOTHIOPHENEMFCD008475843-Thiophenecarbonitrile, 4-bromo-4-bromo-3-thiophenecarbonitrileSCHEMBL1800912AKOS006346477
Show more names
4-Bromthiophene-3-carbonitrile4-Bromothiophene-3-carbonitrile 97%
AS-43038CS-0373343EN300-128293AI-472/32220004Z12016206783-Bromothiophene-4-carbonitrileEthanone,2-chloro-1-(4-ethylphenyl)-(9CI)A880485
Database identifiers
- CAS
18895-10-8- PubChem CID
- 901375
- DTXSID
DTXSID80358516- EC Number
- 663-769-7
- Nikkaji
- J1.997.493F
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 58 · 58-62°C
- Boiling point
- 289.1 · 289.1±25.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- solid
- color
- beige
- InChI
- 1S/C5H2BrNS/c6-5-3-8-2-4(5)1-7/h2-3H
- InChIKey
- RTOSSMAWCKNWFX-UHFFFAOYSA-N
- SMILES
- Brc1cscc1C#N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Suppliers47 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
2 records
Compound notes
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