2,3-Dihydro-1,4-benzodioxin-2-carbonyl chloride

HCID 2735447CAS 3663-81-8

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Basic information

Standard SMILES: O=C(Cl)C1COc2ccccc2O1
InChIKey: UPCGTFBXZKCPOT-UHFFFAOYSA-N
Molecular formula: C9H7ClO3
Average molar mass: 198.6 g/mol
Monoisotopic mass: 198.00837176

Names & identifiers

Preferred name: 2,3-Dihydro-1,4-benzodioxin-2-carbonyl chloride
IUPAC: 2,3-dihydro-1,4-benzodioxine-3-carbonyl chloride
English name: 2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBONYL CHLORIDE
Molecular formula: C9H7ClO3
Molecular weight: 198.6

Names & synonyms

2,3-dihydro-1,4-benzodioxin-2-carbonyl chlorideRefChem:4421593663-81-82,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride1,4-benzodioxan-2-carbonyl chloride2,3-dihydro-1,4-benzodioxine-3-carbonyl chlorideMFCD021803422,3-dihydrobenzo[1,4]dioxine-2-carbonyl chloride2,3-dihydrobenzo[b][1,4]dioxine-2-carbonyl chloride1,4-benzodioxane-2-carbonyl chloride1,4-Benzodioxin-2-carbonylchloride, 2,3-dihydro-77156-53-7

Show more names

BUTTPARK 36\04-481,4-Benzodioxan-2-carbonylchloride97%1,4-Benzodioxan-2-carbonyl chloride 97%

SCHEMBL5678731,4-Benzodioxin-2-carbonylchloride, 2,3-dihydro-, (+)-DTXSID90957892UPCGTFBXZKCPOT-UHFFFAOYSA-NSBB092376AKOS009158633DB-025753EN300-172458

Database identifiers

CAS: 3663-81-8
PubChem CID: 2735447
DTXSID: DTXSID90957892
EC Number: 672-992-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 56 · 56-59°C
Boiling point: 279.9 · 279.9±39.0 °C(Predicted)
Density: 1.374 · 1.374±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 271 · P271-P280-P260
Hazard Codes: Xi,Xn
Risk Statements: 34 · 34-51-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 2932990090 · 2932990090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 3261
hs_code: 2932990090
risk_code: 34-51-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P271-P280-P260