1-Chloro-2-fluorobenzene (HCID 9583)

Names & identifiers

Preferred name: 1-Chloro-2-fluorobenzene
IUPAC: 1-chloro-2-fluorobenzene
English name: 2-Chlorofluorobenzene
Molecular formula: C6H4ClF
Molecular weight: 130.55

Names & synonyms

1-CHLORO-2-FLUOROBENZENE348-51-62-Chlorofluorobenzeneo-ChlorofluorobenzeneBenzene, 1-chloro-2-fluoro-o-Fluorochlorobenzene1-Fluoro-2-chlorobenzene1-chloro-2-fluoro-benzeneCHLOROFLUOROBENZENEMFCD00000533NSC-10270Benzene, chlorofluoro-

Show more names

1-Chloro-2-flu2-Chlorofluorobenzeno-ChorofluorobenzeneO-Chloroflurobenzene1-Chloro-2-flurobenzene

2-FLUOROCHLOROBENZENENSC 10270EINECS 206-476-8ortho-chlorofluorobenzeneJUQ2V3V2AASCHEMBL19921SCHEMBL68590SCHEMBL68591

Database identifiers

CAS: 348-51-6、625-98-9
PubChem CID: 9583
DTXSID: DTXSID8059841
UNII: JUQ2V3V2AA
EC Number: 206-476-8
Nikkaji: J95.439J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure8.19 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 43 · −43-−42 °C(lit.)
Boiling point: 137 · 137-138 °C(lit.)
Density: 1.244 g/mL · 1.244 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.501(lit.)
Flash point: 88 °F · 88 °F
storage temp.: Flammables area
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.244 · 1.244
Water Solubility: 501.9 mg/L · 501.9mg/L(25 ºC)
BRN: 1855301 · 1855301
Henry's Law Constant: 3.1 · 3.1×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N
SMILES: Fc1ccccc1Cl
CAS DataBase Reference: 348 · 348-51-6(CAS DataBase Reference)
FDA UNII: 2 V3V2AA · JUQ2V3V2AA
NIST Chemistry Reference: 1 · Benzene, 1-chloro-2-fluoro-(348-51-6)
EPA Substance Registry System: o-Chlorofluorobenzene (348-51-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F,T
Risk Statements: 10 · 10-36/38-36/37/38-39/23/24/25-23/24/25-11
Safety Statements: 16 · 16-26-36/37-37/39-45-7
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

Hazards SummaryA skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See o-Dichlorobenzene.

Hazard Classes and CategoriesFlam. Liq. 3 (94.2%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29049090
risk_code: 10-36/38-36/37/38-39/23/24/25-23/24/25-11
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F,T
hazard_note: Flammable/Irritant
safety_code: 16-26-36/37-37/39-45-7
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H315-H319-H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-chloro-2-fluoro-: ACTIVE

Applications

Uses1-Chloro-2-fluorobenzene was used in the 9F NMR analysis of conversion of 3,4-fluoro- and 3-chloro-4-fluoroaniline by Rhodococcus sp. strain. It was used in microwave-assisted traceless rapid synthesis of benzimidazolones on Ameba resin.

Upstream & downstream products

Upstream raw materials

TRIFLUOROMETHYLHYPOFLUORITE 4-(Trifluoromethoxy)chlorobenzene 1-Chloro-2,5-difluorobenzene 1-CHLORO-2,4-DIFLUOROBENZENE 1-Chloro-3,4-difluorobenzene 1-Chloro-2-(trifluoromethoxy)benzene 3-(Trifluoromethoxy)chlorobenzene 1-Chloro-3-fluorobenzene 1-Chloro-4-fluorobenzene

Downstream products

2-(3-CHLORO-4-FLUOROPHENYL)INDOLE 3-Chloro-4-fluoroacetophenone 3-Chloro-2-fluorobenzoic acid 1-(2-Chlorophenyl)piperazine 3-CHLORO-4-FLUOROPHENYLACETIC ACID 2-Fluorophenylhydrazine 3-Chloro-4-fluoronitrobenzene

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

28 records

New reaction record

HRID 91671As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165443As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170535As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 188701As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 190193As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202862As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 253531As reactantuspto-grants-2011_01

HRID 305565As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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Basic information