CAS 16331-52-5 Anthracene-9-carbonyl chloride (HCID 167528)

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Basic information

CAS: 16331-52-5
Standard SMILES: O=C(Cl)c1c2ccccc2cc2ccccc12
InChIKey: REJFOBQJXSGDSB-UHFFFAOYSA-N
Molecular formula: C15H9ClO
Average molar mass: 240.68 g/mol
Monoisotopic mass: 240.03419259

Overview

used as derivatizing agent for determination of diethylene glycol

Names & identifiers

Preferred name: Anthracene-9-carbonyl chloride
IUPAC: anthracene-9-carbonyl chloride
English name: 9-ANTHRACENECARBONYL CHLORIDE
Molecular formula: C15H9ClO
Molecular weight: 240.68

Names & synonyms

Anthracene-9-carbonyl chloride16331-52-59-Anthracenecarbonyl chlorideDTXSID00167566RefChem:113056DTXCID4090057673-222-4MFCD000453859-anthroyl chloride9-AnthracenecarbonylchlorideSCHEMBL2044281SCHEMBL30617716

Show more names

TIMTEC-BB SBB0083589-ANTHRACENECARBONYL9-(Chlorocarbonyl)anthracene9-Anthracenecarbonyl chloride 98%Anthracene-9-carbonyl chloride 98%9-ANTHRACENECARBONYL CHLORIDE ---MOISTURE SENSITIVE: CUSTOM PREPARED---

REJFOBQJXSGDSB-UHFFFAOYSA-NSBB008358AKOS025116682SY295070DB-043557E86386F014705

Database identifiers

CAS: 16331-52-5
PubChem CID: 167528
DTXSID: DTXSID00167566
EC Number: 673-222-4
Nikkaji: J1.297.389F

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 279

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 51 °C · 51 °C
Boiling point: 410.5 · 410.5±14.0 °C(Predicted)
Density: 1.307 · 1.307±0.06 g/cm3(Predicted)
CAS DataBase Reference: 16331 · 16331-52-5(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.