CAS 28599-52-2 5-Bromo-2,4-dimethyl-1,3-thiazole (HCID 298628)

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Basic information

CAS: 28599-52-2
Standard SMILES: Cc1nc(C)c(Br)s1
InChIKey: BSFCVAYFJQLZEU-UHFFFAOYSA-N
Molecular formula: C5H6BrNS
Average molar mass: 192.08 g/mol
Monoisotopic mass: 190.94043229

Names & identifiers

Preferred name: 5-Bromo-2,4-dimethyl-1,3-thiazole
IUPAC: 5-bromo-2,4-dimethyl-1,3-thiazole
English name: 5-Bromo-2,4-dimethyl-1,3-thiazole
Molecular formula: C5H6BrNS
Molecular weight: 192.08

Names & synonyms

5-bromo-2,4-dimethyl-1,3-thiazoleDTXSID50305471RefChem:532952DTXCID00256601639-330-028599-52-25-Bromo-2,4-dimethylthiazoleThiazole, 5-bromo-2,4-dimethyl-MFCD030860995-bromo-2,4-dimethyl-thiazoleThiazole,5-bromo-2,4-dimethyl-NSC170848

Show more names

SCHEMBL160277SCHEMBL77910955-bromo-2,4-dimethyl-1,3thiazoleSBB054427AKOS002339095NSC-170848PS-4260BP-10661

Database identifiers

CAS: 28599-52-2
PubChem CID: 298628
DTXSID: DTXSID50305471
EC Number: 639-330-0
Nikkaji: J2.849.711C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 88.5

Physicochemical properties

Melting point: 153 · 153-155 °C
Boiling point: 188 · 188-190 °C(Press: 745 Torr)
Density: 1.589 · 1.589±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 2.93 · 2.93±0.10(Predicted)
form: solid
Appearance: Yellow to orange Solid-Liquid Mixture
InChI: 1S/C5H6BrNS/c1-3-5(6)8-4(2)7-3/h1-2H3
InChIKey: BSFCVAYFJQLZEU-UHFFFAOYSA-N
SMILES: CC1=C(Br)SC(C)=N1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.