(S)-1-(4-클로로페닐)에틸아민

(S)-(-)-1-(4-chlorophenyl)ethylamine

HCID 1550852

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4187-56-8
표준 SMILES: C[C@H](N)c1ccc(Cl)cc1
InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N
분자식: C8H10ClN
평균 분자량: 155.62 g/mol
단동위원소 질량: 155.050177

개요

(S)-1-(4-Chlorophenyl)ethylamine is an organochlorine compound.

이름 및 식별자

우선 이름: (S)-(-)-1-(4-chlorophenyl)ethylamine
IUPAC: (1S)-1-(4-chlorophenyl)ethanamine
현지명: (S)-1-(4-클로로페닐)에틸아민
영어명: (S)-1-(4-Chlorophenyl)ethylamine
분자식: C8H10ClN
분자량: 155.63

이름 및 동의어

(s)-(-)-1-(4-chlorophenyl)ethylamineRefChem:407656(-)-1-(4-chlorophenyl)ethylamine609-965-8(S)-1-(4-Chlorophenyl)ethylamine4187-56-8(S)-1-(4-chlorophenyl)ethanamine(1S)-1-(4-chlorophenyl)ethanamineMFCD00671640(S)-4-Chloro-alpha-methylbenzylamine(S)-1-(4-chlorophenyl)ethan-1-amine(1S)-1-(4-chlorophenyl)ethan-1-amine

이름 더 보기

(S)-1-(4-클로로페닐)에틸아민clophas(S)-1-(4-ChL4-chloro-a-Methyl-(s)-4-chloro-à-methylbenzylamine(S)-4-Chloro-α-methylbenzylamine

5Y5RW6RLW9(S)-4-ChlorophenylethylamineClophaS\(tm(1~{R})-1-(4-chlorophenyl)ethanamine(S)-1-(4-chlorophenyl)-ethylamineUNII-5Y5RW6RLW9SCHEMBL140922orb3030323

데이터베이스 식별자

CAS: 4187-56-8
PubChem CID: 1550852
DTXSID: DTXSID50962028
ChEMBL: CHEMBL5179386
ChEBI: CHEBI:194663
UNII: 5Y5RW6RLW9
EC Number: 609-965-8
Nikkaji: J57.024I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.4

물리화학적 성질

녹는점: 136 · 136-137 °C
끓는 점: 232 °C · 232 °C
밀도: 1.11 g/mL · 1.110 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 232 °C · 232°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 8.82 · 8.82±0.10(Predicted)
물리적 상태: 액체
색상: 맑은 연한 노란색
수용성: 매우 낮은 용해도
BRN: 2412316 · 2412316
InChI: 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N
SMILES: C[C@H](N)c1ccc(Cl)cc1

화학적 성질

Clear colorless to yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (72.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (72.7%)

안전 데이터

wgk: 2
ridadr: UN 2811 6.1/PG 3
HS 번호: 29211990
risk_code: 25-37/38-41-51/53-34-22-43-38-37-23
hazard_code: T,N,C
safety_code: 26-39-45-61-36/37/39
포장분류: II
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects