Basic information
- CAS
32265-82-0- Standard SMILES
Cc1cc(Br)cc(C)c1N=C=S- InChIKey
CAANWLMQHPUROR-UHFFFAOYSA-N- Molecular formula
- C9H8BrNS
- Average molar mass
- 242.14 g/mol
- Monoisotopic mass
- 240.95608
Names & identifiers
- Preferred name
- 4-Bromo-2,6-dimethylphenyl isothiocyanate
- IUPAC
- 5-bromo-2-isothiocyanato-1,3-dimethylbenzene
- English name
- 4-BROMO-2,6-DIMETHYLPHENYL ISOTHIOCYANATE
- Molecular formula
- C9H8BrNS
- Molecular weight
- 242.14
Names & synonyms
32265-82-04-Bromo-2,6-dimethylphenyl isothiocyanateDTXSID00335021RefChem:290611DTXCID50286110CAANWLMQHPUROR-UHFFFAOYSA-N4-Bromo-2,6-dimethylphenylisothiocyanate5-Bromo-2-isothiocyanato-1,3-dimethylbenzeneMFCD00041088SCHEMBL1457241TQP0292AKOS009156644
Show more names
4-Bromine-2,6-dimethylphenyl isothiocyanate4-Bromo-2,6-dimethylphenyl isothiocyate, 98%4-Bromo-2,6-dimethylphenylisothiocyanate-97%Benzene, 5-bromo-2-isothiocyanato-1,3-dimethyl-
AS-86727SY062128DB-0481885-bromanyl-2-fluoranyl-1,3-dimethyl-benzene5-bromo-2-isothiocyanato-1,3-dimethyl-benzeneG775665-Bromo-2-isothiocyanato-1,3-dimethylbenzene #A821215
Database identifiers
- CAS
32265-82-0- PubChem CID
- 522642
- DTXSID
DTXSID00335021- EC Number
- 674-073-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 77 · 77-80°C
- Boiling point
- 321.2 · 321.2±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- Sensitive
- Moisture Sensitive
- BRN
- 6919644 · 6919644
- CAS DataBase Reference
- 32265 · 32265-82-0(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H314-H318-H331
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- ridadr
- 2811
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H314-H318-H331
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers29 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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