2-Chloro-5-(trifluoromethyl)benzylamine

HCID 2736682CAS 15996-78-8

기본 정보

표준 SMILES: NCc1cc(C(F)(F)F)ccc1Cl
InChIKey: XOCMZYUQWVACMA-UHFFFAOYSA-N
분자식: C8H7ClF3N
평균 분자량: 209.59 g/mol
단동위원소 질량: 209.02191156

이름 및 식별자

우선 이름: 2-Chloro-5-(trifluoromethyl)benzylamine
IUPAC: [2-chloro-5-(trifluoromethyl)phenyl]methanamine
영어명: 2-Chloro-5-trifluoromethylbenzyl chloride
분자식: C8H7ClF3N
분자량: 209.6

이름 및 동의어

2-Chloro-5-(trifluoromethyl)benzylamine15996-78-8DTXSID00371525RefChem:258901DTXCID20322559624-271-5[2-chloro-5-(trifluoromethyl)phenyl]methanamine2-chloro-5-(trifluoromethyl)benzyl amineMFCD00190123(2-chloro-5-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 2-chloro-5-(trifluoromethyl)-[2-chloro-5-(trifluoromethyl)phenyl]methylamine

이름 더 보기

RARECHEM AL BW 0385Chlorotrifluoromethylbenzylamine 25()---2-Chloro-5-trifluoromethylbenzyl chloride2-Chloro-5-(trifluoromethyl)benzylamine98%2-Chloro-5-(trifluoromethyl)benzylamine 98%2-Chloro-5-(trifluoromethyl)benzylamine, 97+%(2-Chloro-5-(trifluoroMethyl) phenyl) MethanaMine

2-chloro-5-trifluoromethyl-benzylamine1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL856434SCHEMBL6152782SBB028422AKOS015850171PS-8024SB78647

데이터베이스 식별자

CAS: 15996-78-8
PubChem CID: 2736682
DTXSID: DTXSID00371525
EC Number: 624-271-5

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: 90 · 90-94°C 13mm
밀도: 1.338 g/mL · 1.338 g/mL at 25 °C
굴절률: 20 · n 20/D 1.489
인화점: 218 °F · 218 °F
산도 계수 (pKa): 8.15 · 8.15±0.10(Predicted)
물리적 상태: 액체
색상: Clear, almost colourless
BRN: 2835666 · 2835666
InChI: 1S/C8H7ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
InChIKey: XOCMZYUQWVACMA-UHFFFAOYSA-N
SMILES: NCc1cc(ccc1Cl)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 4 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: 25-36/38-43-36
hazard_code: T,C,Xi
safety_code: 26-36/37-45
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects