1,2-Difluoro-4-nitrobenzene

HCID 123053CAS 369-34-6

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1
InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Molecular formula
C6H3F2NO2
Average molar mass
159.09 g/mol
Monoisotopic mass
159.01318466

Names & identifiers

Preferred name
1,2-Difluoro-4-nitrobenzene
IUPAC
1,2-difluoro-4-nitrobenzene
English name
3,4-Difluoronitrobenzene
Molecular formula
C6H3F2NO2
Molecular weight
159.09

Names & synonyms

3,4-Difluoronitrobenzene1,2-Difluoro-4-nitrobenzeneRUBQQRMAWLSCCJ-UHFFFAOYSA-RefChem:411641206-718-2InChI=1/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H369-34-6Benzene, 1,2-difluoro-4-nitro-3,4-difluoro-1-nitrobenzene1,2-difluoro-4-nitro-benzeneMFCD000071983,4-Difluoro nitrobenzene
Show more names
Linezolid Impurity 13uoronitrobenzene3,4-Difluoronitroben4-DifluoronitrobenzeneLinezolid Nitro Impurity1,2-Difluor-4-nitrobenzol3, 4-2 fluoro nitrobenzene
3, 4-difluoronitrobenzene3, 4-difluoro nitrobenzene3,4-difluoro-nitro benzeneAKOS015888122AS-14509Z3626265861-Nitro-3,4-difluorobenzeneBRN 1944996

Database identifiers

CAS
369-34-6
PubChem CID
123053
DTXSID
DTXSID00190379
UNII
B3RMA758VG
EC Number
206-718-2
Nikkaji
J135.066H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
-12 C · -12C
Boiling point
76 · 76-80 °C/11 mmHg (lit.)
Density
1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.509(lit.)
Flash point
177 °F · 177 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 7 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

Regulatory InformationStatus: Active Update: 30-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21047
Hazard Classes and CategoriesAcute Tox. 4 (14.9%);Acute Tox. 4 (12.8%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (12.8%);STOT SE 3 (97.9%);STOT RE 2 (10.6%)

Regulatory information

Regulatory InformationStatus: Active Update: 30-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21047

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
CZ5710000
ridadr
2810
hs_code
29049090
risk_code
36/37/38-20/21/22

Chemistry & industry

Applications

Uses3,4-Difluoronitrobenzene was used in the preparation of xanthones and acridones.

General DescriptionThe experimental and computational thermochemical study of 3,4-difluoronitrobenzene was studied.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

403 records

Linked notes

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