4-Fluorobenzylamine (HCID 67326)

개요

structure in first source

이름 및 식별자

우선 이름: 4-Fluorobenzylamine
IUPAC: (4-fluorophenyl)methanamine
현지명: 플로로벤질아민
영어명: 4-Fluorobenzylamine
분자식: C7H8FN
분자량: 125.14

이름 및 동의어

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

이름 더 보기

플로로벤질(4-)아민4-FLUOROBENZYLAMINE플로로벤질아민4-플루오로벤질아민NSC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

DrugsPharmaceuticals -> Listed in ZINC15

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

물리화학적 성질

녹는점: 183 °C · 183 °C
끓는 점: 183 °C · 183 °C (lit.)
밀도: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.512(lit.)
인화점: 152 °F · 152 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 9.01 · 9.01±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.101 · 1.101.095
색상: 무색투명~연황색
수용성: 물에 용해됩니다.
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
NIST: 4 · Benzenemethanamine, 4-fluoro-(140-75-0)
EPA: 4 · Benzenemethanamine, 4-fluoro- (140-75-0)

화학적 성질

Colorless to light yellow liquid.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
HS 번호: 29214980
risk_code: 34-20/21/22
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45-36/39
포장분류: III
위험 등급: 8
F 고인화성물질: 10-34
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, 4-fluoro-: ACTIVE

응용 분야 · 2건

용도4-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.

일반 설명[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.