4-클로로-3-(트리플루오로메틸)벤질라민

Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-

HCID 485440CAS 62039-92-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: SRHQOQMNBVOXCF-UHFFFAOYSA-N
분자식: C8H7ClF3N
평균 분자량: 209.59 g/mol
단동위원소 질량: 209.02191156

이름 및 식별자

우선 이름: Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
IUPAC: [4-chloro-3-(trifluoromethyl)phenyl]methanamine
현지명: 4-클로로-3-(트리플루오로메틸)벤질라민
영어명: 4-Chloro-3-(trifluoromethyl)benzylamine
분자식: C8H7ClF3N
분자량: 209.6

이름 및 동의어

62039-92-34-Chloro-3-(trifluoromethyl)benzylamineBenzenemethanamine, 4-chloro-3-(trifluoromethyl)-DTXSID70211101RefChem:563288DTXCID30133592623-553-5(4-Chloro-3-(trifluoromethyl)phenyl)methanamine[4-chloro-3-(trifluoromethyl)phenyl]methanamine4-chloro-3-(trifluoromethyl)benzyl amineMFCD001901241-[4-chloro-3-(trifluoromethyl)phenyl]methanamine

이름 더 보기

4-클로로-3-(트리플루오로메틸)벤질라민RARECHEM AL BW 07914-Chloro-3-(trifluoromethyl)benzylamine98%4-Chloro-3-(trifluoromethyl)benzylamine 98%1-[4-Chloro-3-(trifluoromethyl)phenyl]methan4-Chloro-3-(trifluoromethyl)benzylamine, 97+%4-Chloro-3-(trifluoromethyl)-benzenemethanamineBenzenemethanamine,4-chloro-3-(trifluoromethyl)

EN300-3103593-trifluoromethyl-4-chlorobenzyl amine[4-chloro-3-(trifluoromethyl)phenyl]methylamineSCHEMBL39753SCHEMBL42322CHEMBL1178097BDBM6261364-chloro-3-trifluoromethylbenzylamine

데이터베이스 식별자

CAS: 62039-92-3
PubChem CID: 485440
DTXSID: DTXSID70211101
ChEMBL: CHEMBL1178097
EC Number: 623-553-5

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 100 · 100-104°C 12mm
밀도: 1.379 g/mL · 1.379 g/mL at 25 °C
굴절률: 20 · n 20/D 1.495
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 8.48 · 8.48±0.10(Predicted)
색상: 무색
BRN: 2970538 · 2970538
InChI: 1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: SRHQOQMNBVOXCF-UHFFFAOYSA-N
SMILES: NCc1ccc(Cl)c(c1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 2921490090
risk_code: 25-36/38-43
hazard_code: T,C
safety_code: 26-36/37/39-45
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects