2-(Chloromethyl)naphthalene

HCID 75632

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Basic information

CAS: 2506-41-4
Standard SMILES: ClCc1ccc2ccccc2c1
InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N
Molecular formula: C11H9Cl
Average molar mass: 176.64 g/mol
Monoisotopic mass: 176.039278

Names & identifiers

Preferred name: 2-(Chloromethyl)naphthalene
IUPAC: 2-(chloromethyl)naphthalene
English name: 2-(CHLOROMETHYL)NAPHTHALENE
Molecular formula: C11H9Cl
Molecular weight: 176.64

Names & synonyms

2-(Chloromethyl)naphthalene2506-41-4EINECS 219-713-5NSC 408896DTXSID30179753RefChem:84642DTXCID90102244219-713-5Naphthalene, 2-(chloromethyl)-2-ChloromethylnaphthaleneMFCD000464883-chloro-methylnaphthalene

Show more names

AKOS BBS-000040502-Menaphthyl chlorideNaftifine Impurity 142-Naphtyl(chloro)methane2-(CHLOROMETHYL)PHTHALENE2-CHLOROMETHYL NAPTHALENE(2-NAPHTHYLMETHYL) CHLORIDE

2-(chloromethyl)-naphthaleneXMM44Z9B622-chloromethyl naphthaleneNSC408896NSC-408896AKOS0002618662-Phenyl-2-(2-Piperidine)Acetamide2-Naphtylmethyl Chloride

Database identifiers

CAS: 2506-41-4
PubChem CID: 75632
DTXSID: DTXSID30179753
UNII: XMM44Z9B62
EC Number: 219-713-5
Nikkaji: J149.363I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 45 °C · 45°C
Boiling point: 135 °C/3mm · 135°C/3mm
Density: 1.1356 · 1.1356 (estimate)
refractive index: 1.6323 · 1.6323 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Sparingly), DMSO (Slightly)
form: Solid
color: White to Pale Yellow
BRN: 742185 · 742185
InChI: 1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N
SMILES: ClCc1ccc2ccccc2c1
CAS DataBase Reference: 2506 · 2506-41-4(CAS DataBase Reference)
FDA UNII: 44 Z9B62 · XMM44Z9B62
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi,C
Risk Statements: 21 · 21/22-34
Safety Statements: 20 · 20-26-36/37/39-45-60
RIDADR: 3261 · UN3261
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.