CAS 1435-49-0 1,2-Dichloro-4-fluorobenzene (HCID 74028)

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Basic information

CAS: 1435-49-0
Standard SMILES: Fc1ccc(Cl)c(Cl)c1
InChIKey: QSDKXMVGRLVIQV-UHFFFAOYSA-N
Molecular formula: C6H3Cl2F
Average molar mass: 164.99 g/mol
Monoisotopic mass: 163.95958368

Names & identifiers

Preferred name: 1,2-Dichloro-4-fluorobenzene
IUPAC: 1,2-dichloro-4-fluorobenzene
English name: 1,2-Dichloro-4-fluorobenzene
Molecular formula: C6H3Cl2F
Molecular weight: 164.99

Names & synonyms

1,2-Dichloro-4-fluorobenzene1435-49-03,4-DichlorofluorobenzeneEINECS 215-858-3DTXSID90162444NSC 82300RefChem:71855DTXCID0084935215-858-3QSDKXMVGRLVIQV-UHFFFAOYSA-NBenzene, 1,2-dichloro-4-fluoro-MFCD00018119

Show more names

1-Fluoro-3,4-dichlorobenzene3,4-Dichlorofluorobenzene99%3,4-Dichlorofluorobenzene 99%1,2-Dichloro-4-fluorobenzene>1,2-Dichloro-4-fluorobenzene,99%1,2-Dichloro-4-fluorobenzene, 98+%

1,2-dichloro-4-fluoro-benzene3,4-dichloro-1-fluorobenzeneNSC-82300NSC823003,4 dichlorofluorobenzeneSCHEMBL262186SCHEMBL442153SCHEMBL529658

Database identifiers

CAS: 1435-49-0
PubChem CID: 74028
DTXSID: DTXSID90162444
UNII: GV59588LD8
EC Number: 215-858-3
Nikkaji: J298.620E

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 1 °C · −1 °C(lit.)
Boiling point: 172 °C · 172 °C(lit.)
Density: 1.403 g/mL · 1.403 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.524(lit.)
Flash point: 148 °F · 148 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.403 · 1.403
BRN: 1861278 · 1861278
InChI: InChI=1S/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey: QSDKXMVGRLVIQV-UHFFFAOYSA-N
SMILES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (86.7%)

Safety data

wgk: 3
ridadr: 1993
hs_code: 29039990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-37/39-37
hazard_class: IRRITANT
packing_group: III
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a