3-(트리플루오로메틸)벤질아민

3-(Trifluoromethyl)benzylamine

HCID 75962CAS 2740-83-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1cccc(C(F)(F)F)c1
InChIKey: YKNZTUQUXUXTLE-UHFFFAOYSA-N
분자식: C8H8F3N
평균 분자량: 175.15 g/mol
단동위원소 질량: 175.06088392

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzylamine
IUPAC: [3-(trifluoromethyl)phenyl]methanamine
현지명: 3-(트리플루오로메틸)벤질아민
영어명: 3-(Trifluoromethyl)benzylamine
분자식: C8H8F3N
분자량: 175.15

이름 및 동의어

3-(Trifluoromethyl)benzylamine2740-83-2EINECS 220-367-2DTXSID00181828RefChem:496382DTXCID40104319220-367-2(3-(Trifluoromethyl)phenyl)methanamine[3-(Trifluoromethyl)phenyl]methanamine3-(trifluoromethyl)benzyl amine1-[3-(trifluoromethyl)phenyl]methanamine3-Trifluoromethylbenzylamine

이름 더 보기

3-(트리플루오로메틸)벤질아민RARECHEM AL BW 0022TIMTEC-BB SBB0066913-(Trifluoromethyl)bM-TRIFLUOROMETHYL BENZYLAMINE3-(Trifluoromethyl)benzylamine98%3-(Trifluoromethyl)benzylamine 98%3-(Trifluoromethyl)benzylamine, 97+%3-(Trifluoromethyl)benzenemethanamine

Benzenemethanamine, 3-(trifluoromethyl)-MFCD00008117m-(Trifluoromethyl)benzylamine(3-(trifluoromethyl)phenyl)methylamine[3-(trifluoromethyl)phenyl]methylamine3-Trifluoromethyl-benzylamine3-trifluoromethylbenzyl amine3-trifluoromethylbenzyl-amine

데이터베이스 식별자

CAS: 2740-83-2
PubChem CID: 75962
DTXSID: DTXSID00181828
ChEMBL: CHEMBL13024
EC Number: 220-367-2
Nikkaji: J236.180I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 176.5 · 176.5-178.5 °C
끓는 점: 93 · 93-97 °C (22 mmHg)
밀도: 1.222 g/mL · 1.222 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 160 °F · 160 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 8.69 · 8.69±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.222 · 1.222
색상: 무색~황색으로 투명함
수용성: 불용성
BRN: 1102465 · 1102465
InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey: YKNZTUQUXUXTLE-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC(C(F)(F)F)=C1

화학적 성질

clear colorless to yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (76.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (76.5%)

안전 데이터

wgk: 2
ridadr: UN 2735 8/PG 3
HS 번호: 29214980
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
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-(Trifluoromethyl)benzylamine has been used in the preparation of 6-substituted purines.

상·하류 제품 정보

상류 원료

하류 제품

Thiourea, N-[[3-(trifluoromethyl)phenyl]methyl]-Benzenemethanamine, 3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-prop-2-en-1-yl({[3-(trifluoromethyl)phenyl]methyl})amine

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

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