2-플루오로벤질아민

2-Fluorobenzylamine

HCID 66649CAS 89-99-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccccc1F
InChIKey: LRFWYBZWRQWZIM-UHFFFAOYSA-N
분자식: C7H8FN
평균 분자량: 125.14 g/mol
단동위원소 질량: 125.06407748

이름 및 식별자

우선 이름: 2-Fluorobenzylamine
IUPAC: (2-fluorophenyl)methanamine
현지명: 2-플루오로벤질아민
영어명: 2-Fluorobenzylamine
분자식: C7H8FN
분자량: 125.14

이름 및 동의어

2-Fluorobenzylamine89-99-6Benzenemethanamine, 2-fluoro-o-Fluorobenzylamine1-(2-fluorophenyl)methanamine2-Fluoro-benzylamineortho-FluorobenzylamineEINECS 201-957-9NSC 158270DTXSID8059003RefChem:87153DTXCID1048673

이름 더 보기

2-플루오로벤질아민FluorobenzylaMinesRARECHEM AL BW 00092-Fluorobenzylamine>2-Fluorobenzylamine 97%2-Fluorobenzylamine,97%

201-957-9InChI=1/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9HLRFWYBZWRQWZIM-UHFFFAOYSA-N(2-Fluorophenyl)methanamine2-fluorobenzyl amineBenzylamine, o-fluoro-MFCD00008107o-fluorobenzyl amine

데이터베이스 식별자

CAS: 89-99-6
PubChem CID: 66649
DTXSID: DTXSID8059003
ChEMBL: CHEMBL12892
UNII: R2RBT7FEJ7
EC Number: 201-957-9
Nikkaji: J10H

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: 85

물리화학적 성질

녹는점: 245 · 245-246 °C(Solv: N,N-dimethylformamide (68-12-2))
끓는 점: 73 · 73-75 °C13 mm Hg(lit.)
밀도: 1.095 g/mL · 1.095 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.517(lit.)
인화점: 153 °F · 153 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 8 · 8+-.0.10(Predicted)
Specific Gravity: 1.095 · 1.095
색상: 무색~황색으로 투명함
BRN: 508109 · 508109
InChI: 1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey: LRFWYBZWRQWZIM-UHFFFAOYSA-N
SMILES: NCc1ccccc1F
NIST: 2 · Benzenemethanamine, 2-fluoro-(89-99-6)
EPA: 2 · Benzenemethanamine, 2-fluoro- (89-99-6)

화학적 성질

clear colorless to 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 49 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
HS 번호: 29214990
risk_code: 34-20/21/22
hazard_code: C,Xi,T
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, 2-fluoro-: INACTIVE

응용 분야 · 1건

용도2-Fluorobenzylamine was used in synthesis of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine, having anticonvulsant activity. It was also used in synthesis and study of structure-activity relationship of a series of substituted spirohydantoins.