Basic information
- CAS
348-54-9- Standard SMILES
Nc1ccccc1F- InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N- Molecular formula
- C6H6FN
- Average molar mass
- 111.12 g/mol
- Monoisotopic mass
- 111.04842741
Overview
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
Names & identifiers
- Preferred name
- 2-Fluoroaniline
- IUPAC
- 2-fluoroaniline
- English name
- 2-Fluoroaniline
- Molecular formula
- C6H6FN
- Molecular weight
- 111.12
Names & synonyms
2-FLUOROANILINE348-54-9o-Fluoroaniline1-Amino-2-fluorobenzene2-Fluorobenzenamine2-fluorophenylamineSE32ZK6617NSC-10299DTXSID8059843CHEBI:27526RefChem:87141DTXCID1038905
Show more names
2-fluroanilineAKOS 911392-FluoranilinFLUOROANILINE-2AKOS BBS-000036281BO-Fluoroaniline
206-478-9Benzenamine, 2-fluoro-2-Fluoro-phenylamineAniline, o-fluoro-o-aminofluorobenzeneMFCD00007642Aniline, 2-fluoro-Telmisartan Impurity U
Database identifiers
- CAS
348-54-9- PubChem CID
- 9584
- DTXSID
DTXSID8059843- ChEMBL
CHEMBL195328- ChEBI
CHEBI:27526- UNII
- SE32ZK6617
- EC Number
- 206-478-9
- Nikkaji
- J60.426G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.26
Density1.1513 at 69.8 °F (USCG, 1999) - Denser than water; will sink
Flash Point140 °F (USCG, 1999)
Boiling Point347 °F at 760 mmHg (USCG, 1999)
Melting Point-19.3 °F (USCG, 1999)
Vapor Pressure1.0 [mmHg]
Physical Description
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
Clear to pale yellow liquid with a mild sweet odor; [CHRIS]
Dissociation Constants3.2 (at 25 °C)
Physicochemical properties
- Melting point
- -29 °C · -29 °C
- Boiling point
- 182 · 182-183 °C(lit.)
- Density
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- vapor pressure
- 1 hPa · 1 hPa (20 °C)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 140 °F · 140 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 17 g/l · 17g/l
- form
- Liquid
- pka
- 3.2 · 3.2(at 25℃)
- color
- Clear colorless
- Specific Gravity
- 1.151 · 1.151
- Water Solubility
- 17 g/L · 17 g/L (20°C)
- BRN
- 1524219 · 1524219
- Henry's Law Constant
- 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
- InChIKey
- FTZQXOJYPFINKJ-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1F
- CAS DataBase Reference
- 348 · 348-54-9(CAS DataBase Reference)
- FDA UNII
- 32 ZK6617 · SE32ZK6617
- NIST Chemistry Reference
- 2 · Benzenamine, 2-fluoro-(348-54-9)
- EPA Substance Registry System
- o-Fluoroaniline (348-54-9)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335-H412-H226
- Precautionary statements
- 501 · P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
- target organs
- Blood,hematopoietic system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 22 · 22-37/38-41-36/38-33-23/24/25
- Safety Statements
- 26 · 26-39-37/39-45-36/37-28
- RIDADR
- 2941 · UN 2941 6.1/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 1390000 · BY1390000
- Autoignition Temperature
- 600 °C · 600 °C
- Hazard Note
- Toxic/Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214210 · 29214210
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1CSTOT RE 2
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (46%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23416
2-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Irritating and toxic hydrogen fluoride and oxides of nitrogen may form in fires. (USCG, 1999)
Health Hazards
Inhalation or ingestion causes bluish tint to fingernails, lips and ears indicative of cyanosis; headache, drowsiness, and nausea, followed by unconsciousness. Liquid can be absorbed through skin and cause similar symptoms. Contact with eyes causes irritation. (USCG, 1999)
Hazards Summary
Causes methemoglobinemia in acute oral studies of rats; [RTECS] An eye irritant; Exposure may cause cyanosis, headache, nausea, and unconsciousness; Can be absorbed through skin; [CHRIS] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See 2-Chloroaniline.
Reactive GroupAryl Halides
Reactivity Profile
2-FLUOROANILINE is a base. Neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesFlam. Liq. 3 (46%)
Safety & protection
Fire FightingFire Extinguishing Agents: Water, dry chemical, foam or carbon dioxide (USCG, 1999)
First AidINHALATION: Remove victim from exposure immediately; if needed, administer oxygen; refer to physician.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Rubber gloves; chemical goggles; protective clothing; approved respirator. (USCG, 1999)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BY1390000
- ridadr
- UN 2941 6.1/PG 3
- hs_code
- 29214210
- risk_code
- 22-37/38-41-36/38-33-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-39-37/39-45-36/37-28
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Blood,hematopoietic system
- Hazard statements
- H301+H311+H331-H315-H319-H335-H412-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1CSTOT RE 2
- Autoignition Temperature
- 600 °C
- Precautionary statements
- P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-fluoro-: ACTIVE
Applications
Uses2-Fluoroaniline (cas# 348-54-9) is a useful reagent for the synthesis of insecticides.
General DescriptionClear liquid with a mild sweet odor. Sinks in and mixes slowly with water.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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Additional notes
DefinitionChEBI: 2-fluoroaniline is a derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate It is a primary arylamine and a fluoroaniline.
Related reactions
457 records
Compound notes
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