2-Bromobenzylamine

ObretyliuM · 2-broMoaMine · AURORA KA-7560 · 2-brobenzylamine · 2-BROMOBENZYLAMINE · O-BROMOBENZYLAMINE · RARECHEM AL BW 0008 · 2-Bromobenzylamine 97%

https://huagongshe.com/ko/chemical/334072

식별자 및 물리적 특성

CAS No.	3959-05-5
분자식	C7H8BrN
평균 분자량	186.05 g/mol
단동위원소 질량	184.98401 g/mol
SMILES	NCc1ccccc1Br
InChIKey	NOYASZMZIBFFNZ-UHFFFAOYSA-N
PubChem CID	334072
EC No.	638-899-2
DTXSID	DTXSID30318983

화학 및 물리적 성질

XLogP	1.5
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	85
녹는점	36 °C
끓는 점	118-119°C 9mm
밀도	1.481±0.06 g/cm3(Predicted)
굴절률	1.5875-1.591
인화점	118-119°C/9mm
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태	액체
pKa(산도 계수)	8.52±0.10(Predicted)
색상	투명한
용해도	물에 불용성. 알코올과 에테르에 용해됩니다.
InChI	InChI=1S/C7H8BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey	NOYASZMZIBFFNZ-UHFFFAOYSA-N
SMILES	C1(CN)=CC=CC=C1Br

화학적 성질

Clear slightly yellow liquid

안전 및 규제

GHS 분류	DangerH302+H312 (11.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (44.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (44.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (44.4%)Skin Corr. 1B (100%)Eye Dam. 1 (44.4%)
운송 번호(UN)	UN2735
관세 코드	29214200
위험 문구(R)	34-21/22
위험 표시	C,Xi
안전 문구(S)	45-36/37/39-26
포장분류	III
위험 등급	8
위험 참고 사항	Irritant

용도

Pharmaceutical intermediates. As intermediate in organic synthesis.