Basic information
- CAS
19989-66-3- Standard SMILES
OCc1ccc2ncsc2c1- InChIKey
OZGXSRLIKDPNMX-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483484
Names & identifiers
- Preferred name
- 6-(Hydroxymethyl)benzothiazole
- IUPAC
- 1,3-benzothiazol-6-ylmethanol
- English name
- 6-(HYDROXYMETHYL)BENZOTHIAZOLE
- Molecular formula
- C8H7NOS
- Molecular weight
- 165.21
Names & synonyms
6-(hydroxymethyl)benzothiazoleRefChem:539732691-544-3benzo[d]thiazol-6-ylmethanol19989-66-31,3-benzothiazol-6-ylmethanol6-Benzothiazolemethanolbenzothiazol-6-yl-methanolBenzothiazol-6-ylmethanolMFCD04972625(benzothiazol-6-yl)methanolbenzothiazole-6-methanol
Show more names
6-hydroxymethylbenzothiazole(Benzothiazol-6-yl)-methanolSCHEMBL506620benzo[d]thiazol-6-yl-methanolDTXSID20591344OZGXSRLIKDPNMX-UHFFFAOYSA-N(1,3-Benzothiazol-6-yl)methanol6-Benzothiazolemethanol(8CI,9CI)
Database identifiers
- CAS
19989-66-3- PubChem CID
- 17860385
- DTXSID
DTXSID20591344- EC Number
- 691-544-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 332.6 · 332.6±17.0 °C(Predicted)
- Density
- 1.375 · 1.375
- storage temp.
- 2 · 2-8°C
- form
- Crystalline Powder or Needles
- pka
- 13.97 · 13.97±0.10(Predicted)
- color
- White to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers43 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海景颜化工科技有限公司13817811078 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
阳谷荣科商贸有限公司
Related reactions
18 records
Compound notes
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