Basic information
- CAS
2941-71-1- Standard SMILES
Cc1ccc2nc(C)sc2c1- InChIKey
JEKCSLMWKCKDCC-UHFFFAOYSA-N- Molecular formula
- C9H9NS
- Average molar mass
- 163.24 g/mol
- Monoisotopic mass
- 163.04557046
Names & identifiers
- Preferred name
- 2,6-Dimethylbenzothiazole
- IUPAC
- 2,6-dimethyl-1,3-benzothiazole
- English name
- 2,6-dimethylbenzothiazole
- Molecular formula
- C9H9NS
- Molecular weight
- 163.24
Names & synonyms
2,6-Dimethylbenzothiazole2941-71-12,6-Dimethyl-1,3-benzothiazoleBenzothiazole, 2,6-dimethyl-W6T7PN5F1ZEINECS 220-930-2NSC 93784NSC-93784UNII-W6T7PN5F1ZDTXSID9062724RefChem:83309DTXCID6037982
Show more names
2,6-methylbenzothiazole2,6-Dimethylbenzothiazole>Benzothiazole, 2,6-diMethyl-Benzothiazole, 2,6-dimethyl- (7CI,8CI,9CI)2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydrooxazole
220-930-2InChI=1/C9H9NS/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2HJEKCSLMWKCKDCC-UHFFFAOYSA-N2,6-Dimethylbenzo[d]thiazoleMFCD000228802,6-Dimethyl-1,3-benzothiazole;NSC937842,6-dimethylbenzothiazol
Database identifiers
- CAS
2941-71-1- PubChem CID
- 76253
- DTXSID
DTXSID9062724- UNII
- W6T7PN5F1Z
- EC Number
- 220-930-2
- Nikkaji
- J150.934I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 132 °C/20mmHg · 132°C/20mmHg(lit.)
- Density
- 1.14 · 1.14
- refractive index
- 1.605 · 1.6050-1.6090
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 2.12 · 2.12±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- FDA UNII
- 6 T7PN5F1Z · W6T7PN5F1Z
- EPA Substance Registry System
- 2 · Benzothiazole, 2,6-dimethyl- (2941-71-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 2,6-dimethyl-: INACTIVE
Applications
Uses2,6-Dimethyl-1,3-benzothiazole can be useful in the preparation of benzothiazole derivatives via KOtBu-promoted intramol. C-S cross-coupling of ortho-iodothioanilides.
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Related reactions
5 records
Compound notes
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