(Tetrahydro-2H-pyran-4-yl)acetyl chloride

HCID 24229747CAS 40500-05-8

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Basic information

Standard SMILES: O=C(Cl)CC1CCOCC1
InChIKey: JOMCRTRTXWWINA-UHFFFAOYSA-N
Molecular formula: C7H11ClO2
Average molar mass: 162.61 g/mol
Monoisotopic mass: 162.0447573

Names & identifiers

Preferred name: (Tetrahydro-2H-pyran-4-yl)acetyl chloride
IUPAC: 2-(oxan-4-yl)acetyl chloride
English name: TETRAHYDRO-2H-PYRAN-4-YLACETYL CHLORIDE
Molecular formula: C7H11ClO2
Molecular weight: 162.61

Names & synonyms

(Tetrahydro-2H-pyran-4-yl)acetyl chlorideRefChem:408473640-732-340500-05-82-(tetrahydro-2H-pyran-4-yl)acetyl chloride2-(oxan-4-yl)acetyl chlorideTetrahydro-2H-pyran-4-ylacetyl chlorideMFCD08669649TETRAHYDROPYRAN-4-YLACETYL CHLORIDE2-(4-Tetrahydropyranyl)acetyl Chloride2-(Tetrahydro-2H-pyran-4-yl)acetylchloride(Oxan-4-yl)acetyl chloride

Show more names

2-(oxan-4-yl)acetylchlorideTetrahydropyran-4-acetyl chloride ,95%2H-Pyran-4-acetyl chloride, tetrahydro-Tetrahydropyran-4-ylacetyl chloride ,95%4-(2-Chloro-2-oxoethyl)tetrahydro-2H-pyranTETRAHYDRO-2H-PYRAN-4-YLACETYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL541317DTXSID50640450JOMCRTRTXWWINA-UHFFFAOYSA-Ntetrahydropyran-4-yl acetyl chlorideSBB0536612-tetrahydropyran-4-ylacetyl chlorideAKOS006345984(Tetrahydro-pyran-4-yl)-acetyl chloride

Database identifiers

CAS: 40500-05-8
PubChem CID: 24229747
DTXSID: DTXSID50640450
EC Number: 640-732-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Physicochemical properties

Boiling point: 223.8 · 223.8±13.0 °C(Predicted)
Density: 1.132 · 1.132±0.06 g/cm3(Predicted)
form: liquid
color: Clear, beige/brown
CAS DataBase Reference: 40500 · 40500-05-8
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Hazard Codes: C
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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. 4 (50%)；Skin Corr. 1B (100%)；Eye Dam. 1 (25%)；STOT SE 3 (50%)

Safety data

hs_code: 2932990090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
Hazard statements: H302-H312-H314-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501