CAS 31270-80-1 4-Chlorofuro[3,2-c]pyridine (HCID 2779746)

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Basic information

CAS: 31270-80-1
Standard SMILES: Clc1nccc2occc12
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
Molecular formula: C7H4ClNO
Average molar mass: 153.56 g/mol
Monoisotopic mass: 152.9981414

Names & identifiers

Preferred name: 4-Chlorofuro[3,2-c]pyridine
IUPAC: 4-chlorofuro[3,2-c]pyridine
English name: 4-Chlorofuro[3,2-c]pyridine
Molecular formula: C7H4ClNO
Molecular weight: 153.57

Names & synonyms

4-chlorofuro[3,2-c]pyridine31270-80-1DTXSID503815334-Chlorofuro(3,2-c)pyridineRefChem:292119DTXCID80332558800-345-4Furo[3,2-c]pyridine, 4-chloro-4-Chloro-furo[3,2-c]pyridineMFCD021797684-chlorouro[3,2-c]pyridineSCHEMBL127374

Show more names

104328Compound Fr13857SALOR-INT L299537-1EA4-CHLOROFURO[3,2-]PYRIDINE1. 4-Chlorofuro[3,2-C]Pyridine4-Chlorofuro[3,2-c]pyridine HCl4-CHLOROFURO[3,2-C]PYRIDINE 97%4-Chlorofuro[3,2-c]pyridine, 95+%

CHEBI:194642AKOS006229220CS-W002916PS-4421SB15349orb2567344orb2901869SCHEMBL6293173

Database identifiers

CAS: 31270-80-1
PubChem CID: 2779746
DTXSID: DTXSID50381533
ChEBI: CHEBI:194642
EC Number: 800-345-4
Nikkaji: J848.415E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 131

Physicochemical properties

Melting point: 41 °C · 41 °C
Boiling point: 243 ℃ · 243℃
Density: 1.377 · 1.377
Flash point: 101 ℃ · 101℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: -0.69 · -0.69±0.30(Predicted)
color: Orange
InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC2OC=CC1=2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (60%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 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 CategoriesAcute Tox. 3 (20%)；Acute Tox. 4 (60%)；Acute Tox. 4 (60%)；Skin Irrit. 2 (80%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (60%)；STOT SE 3 (80%)