3,4-디플루오로벤질아민

3,4-Difluorobenzylamine

HCID 123572CAS 72235-53-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(F)c(F)c1
InChIKey: PHLZUDXEBCQHKM-UHFFFAOYSA-N
분자식: C7H7F2N
평균 분자량: 143.13 g/mol
단동위원소 질량: 143.05465566

이름 및 식별자

우선 이름: 3,4-Difluorobenzylamine
IUPAC: (3,4-difluorophenyl)methanamine
현지명: 3,4-디플루오로벤질아민
영어명: 3,4-Difluorobenzylamine
분자식: C7H7F2N
분자량: 143.13

이름 및 동의어

3,4-Difluorobenzylamine72235-53-1EINECS 276-503-6DTXSID00222548RefChem:486038DTXCID30145039276-503-6(3,4-Difluorophenyl)methanamine3,4-difluorobenzyl amine1-(3,4-DIFLUOROPHENYL)METHANAMINEBenzenemethanamine, 3,4-difluoro-MFCD00010145

이름 더 보기

3,4-디플루오로벤질아민RARECHEM AL BW 02983,4-Difluorobenzylam3,4-Difluorobenzylamine99%3,4-Difluorobenzylamine>3,4-Difluorobenzylamine 99%3,4-Difluorobenzylamine,97%3, 4-DIFLUOROBENZYLAMINE,98%3,4-Difluorobenzenemethanamine

(3,4-difluorophenyl)methylamine3,4-difluoro-benzylamine3,4-difluorobenzyl-amine(3,4-Difluorobenzyl)amineSCHEMBL1108233,4-Difluorobenzylamine, techSCHEMBL15478933,4-Difluorobenzylamine, 98%

데이터베이스 식별자

CAS: 72235-53-1
PubChem CID: 123572
DTXSID: DTXSID00222548
EC Number: 276-503-6
Nikkaji: J299.059H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 179 °C · 179°C (rough estimate)
밀도: 1.21 g/mL · 1.21 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.493(lit.)
인화점: 175 °F · 175 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 8.75 · 8.75±0.10(Predicted)
Specific Gravity: 1.21 · 1.210
색상: 무색~황색으로 투명함
BRN: 6643539 · 6643539
InChI: InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey: PHLZUDXEBCQHKM-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(F)C(F)=C1
NIST: 3 · 3,4-Difluorobenzylamine(72235-53-1)

화학적 성질

CLEAR 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 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
ridadr: UN 2735 8/PG 3
HS 번호: 29214990
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45-25
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3,4-Difluorobenzylamine has been used in the preparation of 2-[(5-chloro-2-methoxyphenyl)sulfonyl(2-fluoroallyl)amino]-N-(3,4-difluorobenzyl)-4-pentenamide.

일반 설명3,4-Difluorobenzylamine on condensation with glyoxal yields corresponding hexabenzyl substituted hexaazaisowurtzitanes.