(S)-(-)-4-브로모-알파-페닐에틸아민

(alphaS)-4-Bromo-alpha-methylbenzenemethanamine

HCID 852999CAS 27298-97-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](N)c1ccc(Br)cc1
InChIKey: SOZMSEPDYJGBEK-LURJTMIESA-N
분자식: C8H10BrN
평균 분자량: 200.08 g/mol
단동위원소 질량: 198.99966142

이름 및 식별자

우선 이름: (alphaS)-4-Bromo-alpha-methylbenzenemethanamine
IUPAC: (1S)-1-(4-bromophenyl)ethanamine
현지명: (S)-(-)-4-브로모-알파-페닐에틸아민
영어명: (S)-(-)-4-Bromo-alpha-phenylethylamine
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

(S)-(-)-1-(4-Bromophenyl)ethylamineDTXSID501280072RefChem:405738DTXCID801710662(alphaS)-4-Bromo-alpha-methylbenzenemethanamine608-076-227298-97-1(S)-1-(4-bromophenyl)ethanamine(1S)-1-(4-bromophenyl)ethanamine(S)-1-(4-Bromophenyl)ethylamineMFCD00066026(S)-1-(4-Bromophenyl)-ethylamine

이름 더 보기

(S)-(-)-4-브로모-알파-페닐에틸아민S(-)-1-(4-Bromophenyl)ethylami(S)-1-(p-broMophenyl)ethylaMine(S)-1-(p-Bromophenyl)ethaneamine(S)-(-)-4-Bromo--phenylethylamine

(S)-1-(4-bromophenyl)ethan-1-amine(1S)-1-(4-bromophenyl)ethan-1-amine(S)-(-)-1-(4-bromo-phenyl)-ethylamine(S)-1-(4-Bromo-phenyl)-ethylamineSCHEMBL116807(S)-1-(4-Bromopheny)ethylamineSOZMSEPDYJGBEK-LURJTMIESA-NCS-B0690

데이터베이스 식별자

CAS: 27298-97-1
PubChem CID: 852999
DTXSID: DTXSID501280072
EC Number: 608-076-2
Nikkaji: J56.877E

물성

구조 계산 물성

XLogP: 1.9
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: -25 °C · -25°C
끓는 점: 63 · 63-72 °C (0.2 mmHg)
밀도: 1.39 g/mL · 1.390 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.566
인화점: 110 °C · >110°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 투명한 액체
산도 계수 (pKa): 8.82 · 8.82±0.10(Predicted)
색상: 무색 내지 거의 무색
BRN: 5729988 · 5729988
InChI: 1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey: SOZMSEPDYJGBEK-LURJTMIESA-N
SMILES: C[C@H](N)c1ccc(Br)cc1

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (82%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (82%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29214990
risk_code: 34-51/53-43-20/22
hazard_code: C,N
safety_code: 26-28-36/37/39-45-61
포장분류: II
위험 등급: 8
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도(S)-(-)-1-(4-Bromophenyl)ethylamine is utilized as an important raw material in organic synthesis. It also serves as an intermediate in organic synthesis and pharmaceuticals and agrochemicals.