3,4-Dibromothiophene-2-carbaldehyde

HCID 12559528CAS 32896-02-9

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Basic information

Standard SMILES: O=Cc1scc(Br)c1Br
InChIKey: QCCFUWPEUHXQMH-UHFFFAOYSA-N
Molecular formula: C5H2Br2OS
Average molar mass: 269.94 g/mol
Monoisotopic mass: 267.81930988

Names & identifiers

Preferred name: 3,4-Dibromothiophene-2-carbaldehyde
IUPAC: 3,4-dibromothiophene-2-carbaldehyde
English name: 3,4-Dibromothiophene-2-carboxaldehyde
Molecular formula: C5H2Br2OS
Molecular weight: 269.94

Names & synonyms

3,4-Dibromothiophene-2-carbaldehyde32896-02-9DTXSID60502550RefChem:270811DTXCID50453360803-661-03,4-Dibromothiophene-2-carboxaldehyde3,4-dibromo-2-thiophenecarbaldehydeMFCD082818752-Thiophenecarboxaldehyde, 3,4-dibromo-SCHEMBL12354763,4-dibromo-2-thiophenealdehyde

Show more names

D900063,4-dibromo-2-Thiophenecarboxaldehyde3,4-Dibromothiophene-2-carboxaldehyde 97%3,4-Dibromothiophene-2-carboxaldehyde, CAS 32896-02-9

XH1302AKOS000277880DA-24773SY0598623,4-Dibromothiophene-2-carboxaldehyde, 97%CS-0193862EN300-1255696Y-0851

Database identifiers

CAS: 32896-02-9
PubChem CID: 12559528
DTXSID: DTXSID60502550
EC Number: 803-661-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 107 · 107-111°C
Boiling point: 305.4 · 305.4±37.0 °C(Predicted)
Density: 2.195 · 2.195±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
form: powder
Appearance: Light yellow to yellow Solid
InChI: 1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H
InChIKey: QCCFUWPEUHXQMH-UHFFFAOYSA-N
SMILES: Brc1csc(C=O)c1Br
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H319
Precautionary statements: 301 · P301+P310+P330-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
ridadr: 2811
risk_code: 22-36
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 26
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
Precautionary statements: P301+P310+P330-P305+P351+P338