2-Methylbenzothiazole (HCID 8446)

Names & identifiers

Preferred name: 2-Methylbenzothiazole
IUPAC: 2-methyl-1,3-benzothiazole
English name: 2-Methylbenzothiazole
Molecular formula: C8H7NS
Molecular weight: 149.21

Names & synonyms

2-Methylbenzothiazole120-75-2Benzothiazole, 2-methyl-2-methyl-benzothiazole2-METHYBENZOTHIAZOLEUSAF EK-18532-Methyl benzothiazoleUNII-7LX1XE6H8WDTXSID8049208BRN 0112427NSC 3825EINECS 204-423-3

Show more names

2-methylbenzo[d]thiazoleMETHYLBENZOTHIAZOLE2-Methyl-1,3-benzothiazoleusafek-18532-Methylbenzothiazo2-methylbenzothiazol2-methyl-benzothiazol3-Methyl-benzothiazole

7LX1XE6H8WCCRIS 8096NSC-3825DTXCID40290644-27-00-01080 (Beilstein Handbook Reference)RefChem:88264204-423-3DXYYSGDWQCSKKO-UHFFFAOYSA-N

Database identifiers

CAS: 120-75-2
PubChem CID: 8446
DTXSID: DTXSID8049208
ChEMBL: CHEMBL2393325
UNII: 7LX1XE6H8W
EC Number: 204-423-3
Nikkaji: J37.318D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

Boiling Point238.00 °C. @ 760.00 mm Hg

Melting Point14 °C

Physical DescriptionLiquid

Kovats Retention Index1288；1273

Physicochemical properties

Melting point: 11 · 11-14 °C (lit.)
Boiling point: 238 °C · 238 °C (lit.)
Density: 1.173 g/mL · 1.173 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.617(lit.)
Flash point: 216 °F · 216 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Sparingly), Methanol (Slightly)
form: Liquid
pka: 1.65 · 1.65±0.10(Predicted)
color: slightly yellow
Water Solubility: Not miscible or difficult to mix with water.
BRN: 112427 · 112427
Cosmetics Ingredients Functions: SOLVENTNAIL SCULPTING
InChI: 1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey: DXYYSGDWQCSKKO-UHFFFAOYSA-N
SMILES: Cc1nc2ccccc2s1
LogP: 2.224 · 2.224 (est)
CAS DataBase Reference: 120 · 120-75-2(CAS DataBase Reference)
FDA UNII: 7 LX1XE6H8W · 7LX1XE6H8W
NIST Chemistry Reference: 2 · Benzothiazole, 2-methyl-(120-75-2)
EPA Substance Registry System: 2 · 2-Methybenzothiazole (120-75-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
RTECS: 5600000 · DL5600000
TSCA: TSCA listed
HS Code: 29342080 · 29342080
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 40 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 40 reports by companies.；There are 2 notifications provided by 2 of 40 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Benzothiazole, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory Information · 3 items

Chemical: Benzothiazole, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
rtecs: DL5600000
hs_code: 29342080
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

General Manufacturing InformationBenzothiazole, 2-methyl-: ACTIVE

Applications

Uses2-Methylbenzothiazole is a useful reagent for efficient development of new fluorescent probes for RNA G quadruplex imaging.

General Description2-Methylbenzothiazole can be synthesized by the Cu-catalyzed, base-free C-S coupling using conventional and microwave heating methods.