CAS 14006-54-3 3-Chloro-1-benzothiophene-2-carbaldehyde (HCID 818121)

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Basic information

CAS: 14006-54-3
Standard SMILES: O=Cc1sc2ccccc2c1Cl
InChIKey: UFTPKLPCVLXBQY-UHFFFAOYSA-N
Molecular formula: C9H5ClOS
Average molar mass: 196.65 g/mol
Monoisotopic mass: 195.9749636

Names & identifiers

Preferred name: 3-Chloro-1-benzothiophene-2-carbaldehyde
IUPAC: 3-chloro-1-benzothiophene-2-carbaldehyde
English name: 3-Chloro-1-benzothiophene-2-carbaldehyde
Molecular formula: C9H5ClOS
Molecular weight: 196.65

Names & synonyms

14006-54-33-chloro-1-benzothiophene-2-carbaldehydeDTXSID20355908RefChem:278064DTXCID90306967800-785-73-chlorobenzo[b]thiophene-2-carbaldehydeBenzo[b]thiophene-2-carboxaldehyde, 3-chloro-3-Chloro-benzo[b]thiophene-2-carbaldehydeMFCD004890513-chlorobenzothiophene-2-carbaldehyde3-Chlorobenzo[b]thiophene-2-carboxaldehyde

Show more names

3-Chloro-2-benzothiophenecarboxaldehyde3-chloro-1-benzothiophene-2-carbaldehyde(SALTDATA: FREE)

3-CHLOROBENZO[B]THIOPHENE-2- CARBALDEHYDESCHEMBL659370SCHEMBL5394529UFTPKLPCVLXBQY-UHFFFAOYSA-NALBB-025147FD7228SBB072434AKOS001115599

Database identifiers

CAS: 14006-54-3
PubChem CID: 818121
DTXSID: DTXSID20355908
EC Number: 800-785-7
Nikkaji: J770.964A

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 112 · 112-113℃ (hexane )
Boiling point: 331.1 · 331.1±22.0 °C(Predicted)
Density: 1.439 · 1.439±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H410
Precautionary statements: 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Risk Statements: 25 · 25-36-43
Safety Statements: 26 · 26-36/37-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

ridadr: UN 2811 6.1 / PGIII
hs_code: 2934999090
risk_code: 25-36-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
safety_code: 26-36/37-45
Hazard statements: H302-H315-H317-H318-H410
Precautionary statements: P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501