CAS 27298-99-3 (1R)-1-(4-chlorophenyl)ethan-1-amine (HCID 1715226)

기본 정보

CAS: 27298-99-3
표준 SMILES: C[C@@H](N)c1ccc(Cl)cc1
InChIKey: PINPOEWMCLFRRB-ZCFIWIBFSA-N
분자식: C8H10ClN
평균 분자량: 155.62 g/mol
단동위원소 질량: 155.050177

이름 및 식별자

우선 이름: (1R)-1-(4-chlorophenyl)ethan-1-amine
IUPAC: (1R)-1-(4-chlorophenyl)ethanamine
현지명: (R)-1-(4-클로로페닐)에틸아민
영어명: (R)-1-(4-CHLOROPHENYL)ETHYLAMINE
분자식: C8H10ClN
분자량: 155.63

이름 및 동의어

(1R)-1-(4-chlorophenyl)ethan-1-amineRefChem:392932(+)-1-(4-chlorophenyl)ethylamine608-077-827298-99-3(R)-1-(4-chlorophenyl)ethanamine(R)-1-(4-Chlorophenyl)ethylamine(1R)-1-(4-chlorophenyl)ethanamine(R)-(+)-1-(4-CHLOROPHENYL)ETHYLAMINEMFCD00671639(R)-1-(4-chlorophenyl)ethan-1-amine(R)-4-Chloro-alpha-methylbenzylamine

이름 더 보기

(R)-1-(4-클로로페닐)에틸아민clopharClophaR\(tm4-Chloro-a-methylbenzylamine(r)-4-chloro-α-methylbenzylamine(r)-4-chloro-à-methylbenzylamine(R)-4-Chloro-α-methylbenzylamine

(1R)-1-(4-chlorophenyl)ethylamineCS-0000291(1~{R})-1-(4-chlorophenyl)ethanamineSCHEMBL138590SCHEMBL1734208DTXSID40364936(R)-1-(4-chloro-phenyl)ethylamine(R)-1-(4-chlorophenyl)-ethylamine

데이터베이스 식별자

CAS: 27298-99-3
PubChem CID: 1715226
DTXSID: DTXSID40364936
EC Number: 608-077-8
Nikkaji: J57.025G

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: 222 · 222-224 °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: 115 °C · 115°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: 무색~황색으로 투명함
수용성: 매우 낮은 용해도
BRN: 2412317 · 2412317
InChI: 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey: PINPOEWMCLFRRB-ZCFIWIBFSA-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 (73.2%): 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 149 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 (73.2%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29214900
risk_code: 34-51/53-22-43-41-38-23
hazard_code: C,N,T
safety_code: 26-36/37/39-45-61
포장분류: III
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도(R)-(+)-1-(4-Chlorophenyl)ethylamine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as a chiral reagent.