CAS 464192-28-7 2-Bromo-1,3-thiazole-5-carbaldehyde (HCID 2773259)

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Basic information

CAS: 464192-28-7
Standard SMILES: O=Cc1cnc(Br)s1
InChIKey: DJUWIZUEHXRECB-UHFFFAOYSA-N
Molecular formula: C4H2BrNOS
Average molar mass: 192.04 g/mol
Monoisotopic mass: 190.90404678

Names & identifiers

Preferred name: 2-Bromo-1,3-thiazole-5-carbaldehyde
IUPAC: 2-bromo-1,3-thiazole-5-carbaldehyde
English name: 2-Bromo-5-fomylthiazole
Molecular formula: C4H2BrNOS
Molecular weight: 192.03

Names & synonyms

2-bromo-1,3-thiazole-5-carbaldehydeRefChem:465814670-319-32-Bromo-5-formylthiazole464192-28-72-bromothiazole-5-carbaldehyde2-Bromo-5-fomylthiazole2-Bromothiazole-5-carboxaldehydeMFCD037885672-bromo-thiazole-5-carbaldehyde2-Bromo-5-thiazolecarboxaldehyde2-Bromo-1,3-thiazole-5-carboxaldehyde

Show more names

4-BROMOTHIAZOLE-2-CARBALDEHYDECAS:464192-28-72-Bromo-5-formyL2-Bromo-5-formyl-1,3-thiazole2-Bromo-5-formylthiazole ,98%2-Bromothiazole-5-carboxaldehy2-Bromo-5-thiazolecarbaldehyde

DTXSID203783142-bromo-5-formylthiazole, AldrichCPRPS-3303SY031622EN300-1182295-Thiazolecarboxaldehyde, 2-bromo-FT-0644704SCHEMBL30957

Database identifiers

CAS: 464192-28-7
PubChem CID: 2773259
DTXSID: DTXSID20378314
EC Number: 670-319-3
Nikkaji: J3.503.007G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 100

Physicochemical properties

Melting point: 94 · 94-96°C
Boiling point: 264.9 · 264.9±13.0 °C(Predicted)
Density: 1.92 · 1.920±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: Crystalline Powder
pka: -0.94 · -0.94±0.10(Predicted)
color: White to yellow
InChI: InChI=1S/C4H2BrNOS/c5-4-6-1-3(2-7)8-4/h1-2H
InChIKey: DJUWIZUEHXRECB-UHFFFAOYSA-N
SMILES: S1C(C=O)=CN=C1Br
CAS DataBase Reference: 464192 · 464192-28-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317-H319

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.