4-Chloro-1-fluoro-2-nitrobenzene (HCID 67660)

Names & identifiers

Preferred name: 4-Chloro-1-fluoro-2-nitrobenzene
IUPAC: 4-chloro-1-fluoro-2-nitrobenzene
English name: 5-Chloro-2-fluoronitrobenzene
Molecular formula: C6H3ClFNO2
Molecular weight: 175.54

Names & synonyms

5-chloro-2-fluoronitrobenzene4-Chloro-1-fluoro-2-nitrobenzene2-fluoro-5-chloronitrobenzeneBenzene, 4-chloro-1-fluoro-2-nitro-1-CHLORO-4-FLUORO-3-NITROBENZENEMAM88XP8XPEINECS 206-457-4DTXSID201880561-FLUORO-4-CHLORO-2-NITROBENZENE3-CHLORO-6-FLUORO-1-NITROBENZENE2-FLUORO-5-CHLORO-1-NITROBENZENERefChem:98296

Show more names

5-Chloro-2-fluoronit5-chloro-2-fluoronitrobenzenen4-CHLORO-2-NITRO FLUORO BENZENE1-Nitro-2-fluoro-5-chlorobenzene1-Fluoro-2-nitro-4-chlorobenzene5-Chloro-2-fluoronitrobenzene 97%

DTXCID50110547345-18-64-chloro-1-fluoro-2-nitro-benzeneMFCD00069418SCHEMBL3063755-chloro-2-fluoro nitrobenzeneSCHEMBL17145919CS-W019164

Database identifiers

CAS: 345-18-6
PubChem CID: 67660
DTXSID: DTXSID20188056
UNII: MAM88XP8XP
EC Number: 206-457-4
Nikkaji: J193.795B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 8.3 °C · 8.3 °C
Boiling point: 236 °C · 236 °C
Density: 1.49 g/ml · 1.49g/ml
refractive index: 1.549 · 1.5490-1.5530
Flash point: 97 °C · 97 °C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Light yellow to Yellow to Orange
Specific Gravity: 1.48 · 1.48
CAS DataBase Reference: 345 · 345-18-6(CAS DataBase Reference)
FDA UNII: 88 XP8XP · MAM88XP8XP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi,C
Risk Statements: 20 · 20/21/22-36/37/38-34
Safety Statements: 36 · 36/37/39-45
RIDADR: 3261 · UN 3261 8 / PGII
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)

Safety data

wgk: 3
ridadr: UN 3261 8 / PGII
hs_code: 2904990090
risk_code: 20/21/22-36/37/38-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 36/37/39-45
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses5-Chloro-2-fluoronitrobenzene is an organic synthetic reagent or pharmaceutical intermediate component. It can be used in the synthesis of aniline intermediates of ureidoolefins, and the amino and hydroxyl groups at the 4-position of these aniline intermediates are useful in the further preparation of macrocyclic urea kinase inhibitors.