2-(2-Naphthyl)acetyl chloride

HCID 588115

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Basic information

CAS: 37859-25-9
Standard SMILES: O=C(Cl)Cc1ccc2ccccc2c1
InChIKey: QEJGMKHQXSZCOS-UHFFFAOYSA-N
Molecular formula: C12H9ClO
Average molar mass: 204.65 g/mol
Monoisotopic mass: 204.03419259

Names & identifiers

Preferred name: 2-(2-Naphthyl)acetyl chloride
IUPAC: 2-naphthalen-2-ylacetyl chloride
English name: 2-(2-Naphthyl)acetyl chloride
Molecular formula: C12H9ClO
Molecular weight: 204.65

Names & synonyms

37859-25-92-(2-NAPHTHYL)ACETYL CHLORIDE2-Naphthaleneacetyl chlorideDTXSID10343192RefChem:454281DTXCID70294272673-217-7Naphthalen-2-yl-acetyl chloride2-(naphthalen-2-yl)acetyl chloride2-Naphthylacetyl chloride2-naphthalen-2-ylacetyl chloride(Naphth-2-yl)acetyl Chloride

Show more names

SKL1255BUTTPARK 52\15-93Napthoxy acetyl chloride2-Naphthaleneacetylchloride2-Naphth-2-ylacetyl chloride2-(2-naphthalenyl)acetyl chloride

MFCD021805242-Naphthylacetyl chlotide2-Nabeta-naphthylacetyl chloride2-Naphthylacetyl chloride #naphthalen-2-ylacetyl chlorideSCHEMBL1020432SCHEMBL29651866

Database identifiers

CAS: 37859-25-9
PubChem CID: 588115
DTXSID: DTXSID10343192
EC Number: 673-217-7
Nikkaji: J1.516.098E

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 61 · 61-65°C
Boiling point: 156 · 156-158 °C(Press: 10 Torr)
Density: 5 g/cm3 · 5 g/cm3
form: low melting solid
color: Pale brown
InChI: 1S/C12H9ClO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey: QEJGMKHQXSZCOS-UHFFFAOYSA-N
SMILES: ClC(=O)Cc1ccc2ccccc2c1
CAS DataBase Reference: 37859 · 37859-25-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HazardClass: 8 · 8
HS Code: 2916399090 · 2916399090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 1 · Eye Dam. 1
Limited Quantities: 5 kg · 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

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

wgk: WGK 3
ridadr: 3261
hs_code: 2916399090
risk_code: 34-36
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Dam. 1
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501