CAS 54679-16-2 4-(Chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole (HCID 736496)

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Basic information

CAS: 54679-16-2
Standard SMILES: ClCc1csc(-c2cccs2)n1
InChIKey: CGJJBHKYGNSTDK-UHFFFAOYSA-N
Molecular formula: C8H6ClNS2
Average molar mass: 215.7 g/mol
Monoisotopic mass: 214.96301887

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
English name: 4-(CHLOROMETHYL)-2-(2-THIENYL)-1,3-THIAZOLE
Molecular formula: C8H6ClNS2
Molecular weight: 215.72

Names & synonyms

4-(chloromethyl)-2-(thiophen-2-yl)-1,3-thiazoleRefChem:515571996-918-254679-16-24-(CHLOROMETHYL)-2-(2-THIENYL)-1,3-THIAZOLE4-(chloromethyl)-2-(thiophen-2-yl)thiazole4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazoleMFCD01571296thiazole, 4-(chloromethyl)-2-(2-thienyl)-SCHEMBL1486860DTXSID80353041CGJJBHKYGNSTDK-UHFFFAOYSA-N

Show more names

4-(Chloromethyl)-2-(2-thienyl)thiazoleThiazole,4-(chloroMethyl)-2-(2-thienyl)-4-(CHLOROMETHYL)-2-THIEN-2-YL-1,3-THIAZOLE4-(Chloromethyl)-2-(thiophen-2-yl)-thiazole

SBB0951714-chloromethyl-2-(2-thienyl)thiazoleAKOS001081378MS-22119SY143683DB-026138EN300-11433G29196

Database identifiers

CAS: 54679-16-2
PubChem CID: 736496
DTXSID: DTXSID80353041
EC Number: 996-918-2

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 52 °C · 52 °C
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Off-white to gray Solid
CAS DataBase Reference: 54679 · 54679-16-2
Hazard Codes: C
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Corrosive
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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.