3,4-Dichlorobenzophenone

HCID 80494CAS 6284-79-3

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Basic information

Standard SMILES: O=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
Molecular formula: C13H8Cl2O
Average molar mass: 251.1 g/mol
Monoisotopic mass: 249.9952203

Names & identifiers

Preferred name: 3,4-Dichlorobenzophenone
IUPAC: (3,4-dichlorophenyl)-phenylmethanone
English name: 3,4-Dichlorobenzophenone
Molecular formula: C13H8Cl2O
Molecular weight: 251.11

Names & synonyms

3,4-Dichlorobenzophenone6284-79-3NSC-5249A8X2V9A7UWDTXSID90212014RefChem:91026DTXCID90134505228-509-5(3,4-Dichlorophenyl)(phenyl)methanoneMethanone, (3,4-dichlorophenyl)phenyl-Benzophenone, 3,4-dichloro-(3,4-dichlorophenyl)-phenylmethanone

Show more names

LABOTEST-BB LT004555253,4-Dichlorobenzophenone99%3,4-DiChlororobenzo phenone3,4-Dichlorobenzophenone>3,4-Dichlorobenzophenone,98%3,4-Dichlorobenzophenone 99%Phenyl 3,4-dichlorophenyl ketone(3,4-Dichlorophenyl)phenyl-methanone

3,4-Dichlorophenyl phenyl ketoneNSC5249EINECS 228-509-5MFCD00000552SCHEMBL333237AKOS009156379PS-11162D3574

Database identifiers

CAS: 6284-79-3
PubChem CID: 80494
DTXSID: DTXSID90212014
UNII: A8X2V9A7UW
EC Number: 228-509-5
Nikkaji: J81.176I

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 100 · 100-103 °C
Boiling point: 356.37 °C · 356.37°C (rough estimate)
Density: 1.2472 · 1.2472 (rough estimate)
refractive index: 1.5555 · 1.5555 (estimate)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Light yellow to Light orange
BRN: 2105069 · 2105069
InChI: InChI=1S/C13H8Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C(Cl)=C1)(C1=CC=CC=C1)=O
CAS DataBase Reference: 6284 · 6284-79-3(CAS DataBase Reference)
FDA UNII: 8 X2V9A7UW · A8X2V9A7UW
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-24/25
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 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.