CAS 140-75-0 4-Fluorobenzylamine (HCID 67326)

Overview

structure in first source

Names & identifiers

Preferred name: 4-Fluorobenzylamine
IUPAC: (4-fluorophenyl)methanamine
English name: 4-Fluorobenzylamine
Molecular formula: C7H8FN
Molecular weight: 125.14

Names & synonyms

4-Fluorobenzylamine140-75-0p-FluorobenzylamineBenzenemethanamine, 4-fluoro-NSC-1582694-(18F)-fluorobenzylamineP5W29VUB78DTXSID7059698(4-fluorophenyl)methanaminiumRefChem:523402DTXCID2034544205-430-4

Show more names

NSC 158269AURORA KA-7685P-flubenzylamineAKOS BBS-00003618RARECHEM AL BW 00264-fluro benzylamine

(4-Fluorophenyl)methanamineBenzylamine, p-fluoro-MFCD000081201-(4-fluorophenyl)methanamine4-fluorobenzenemethanamine4-fluorobenzyl amine4-Fluoro-benzylamineCHEMBL12392

Database identifiers

CAS: 140-75-0
PubChem CID: 67326
DTXSID: DTXSID7059698
ChEMBL: CHEMBL12392
UNII: P5W29VUB78
EC Number: 205-430-4
Nikkaji: J184.430J

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionColorless or pale yellow liquid with an amine-like odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 183 °C · 183 °C
Boiling point: 183 °C · 183 °C (lit.)
Density: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.512(lit.)
Flash point: 152 °F · 152 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 9.01 · 9.01±0.10(Predicted)
form: Liquid
Specific Gravity: 1.101 · 1.101.095
color: Clear colorless to light yellow
Water Solubility: Soluble in water.
Sensitive: Air Sensitive
BRN: 636501 · 636501
InChI: 1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYSA-N
SMILES: NCc1ccc(F)cc1
CAS DataBase Reference: 140 · 140-75-0(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Benzenemethanamine, 4-fluoro-(140-75-0)
EPA Substance Registry System: 4 · Benzenemethanamine, 4-fluoro- (140-75-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-20/21/22
Safety Statements: 26 · 26-27-36/37/39-45-36/39
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-34
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214980 · 29214980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17947

4-Fluorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See 4-Chlorobenzylamine.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29214980
risk_code: 34-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45-36/39
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H290-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B
Precautionary statements: P234-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 4-fluoro-: ACTIVE

Applications · 2 items

Uses4-Fluorobenzylamine is used as a potassium channel blocking agent. It is used in the synthesis of new tris-iron(III) chelates of 3-hydroxy-4-pyridinone ligands. It reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate2. It is an important building block for the synthesis of 18F-labeled compounds.

General Description[18F]4-fluorobenzylamine reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate. It is an important building block for the synthesis of 18F-labeled compounds.