CAS 37859-43-1 2-(Chloromethyl)benzothiazole (HCID 304978)

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Basic information

CAS: 37859-43-1
Standard SMILES: ClCc1nc2ccccc2s1
InChIKey: SERUZNHRWBXDOX-UHFFFAOYSA-N
Molecular formula: C8H6ClNS
Average molar mass: 183.66 g/mol
Monoisotopic mass: 182.99094787

Names & identifiers

Preferred name: 2-(Chloromethyl)benzothiazole
IUPAC: 2-(chloromethyl)-1,3-benzothiazole
English name: 2-(Chloromethyl)-1,3-benzothiazole
Molecular formula: C8H6ClNS
Molecular weight: 183.66

Names & synonyms

2-(chloromethyl)benzothiazoleRefChem:460357663-052-92-(chloromethyl)-1,3-benzothiazole37859-43-1BENZOTHIAZOLE, 2-(CHLOROMETHYL)-MFCD056649442-chloromethylbenzothiazole2-(CHLOROMETHYL)BENZO[D]THIAZOLE2-chloromethyl-benzothiazoleNSC2017112-chloromethylbenzthiazole

Show more names

NSC 2017112-(Chloromethyl)benzothiazole,95%Benzothiazole, 2-(chloromethyl)- (7CI,9CI)

SCHEMBL2205875SCHEMBL280157012-chloromethyl-1,3-benzthiazoleDTXSID80308051BUTTPARK 77\08-26CHEMBRDG-BB 4016924ALBB-026949CS-D1746

Database identifiers

CAS: 37859-43-1
PubChem CID: 304978
DTXSID: DTXSID80308051
EC Number: 663-052-9
Nikkaji: J647.264H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 34 ℃ · 34℃
Boiling point: 102 °/0.5mm · 102°/0.5mm
Density: 1.371 · 1.371
Flash point: 120 ℃ · 120℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: soluble in Methanol
form: Solid
pka: 0.43 · 0.43±0.10(Predicted)
Appearance: 34 °C · Off-white to light yellow 34°C Liquid
Sensitive: Moisture Sensitive
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P280-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
Hazard Codes: Xi,Xn

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 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

hs_code: 2934208090
risk_code: 22-37/38-41-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37-39
hazard_class: IRRITANT
Hazard statements: H302-H315-H317-H318-H335
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338