4-Bromobenzene-1,2-diamine

4-BROMO-1,2-DIAMINOBENZENE · 4-BROMO-BENZENE-1,2-DIAMINE · 4-Bromo-1,2-phenylenediamine · 3-BROMO-1,2-DIAMINOBENZENE · 4-BroMo-1 · 2-benzenediaMine · BUTTPARK 95\04-56 · 4-Bromo-o-phenyle

https://huagongshe.com/ko/chemical/323593

식별자 및 물리적 특성

CAS No.	1575-37-7
분자식	C6H7BrN2
평균 분자량	187.04 g/mol
단동위원소 질량	185.97926032 g/mol
SMILES	Nc1ccc(Br)cc1N
InChIKey	WIHHVKUARKTSBU-UHFFFAOYSA-N
PubChem CID	323593
EC No.	629-615-8
DTXSID	DTXSID80314531

화학 및 물리적 성질

XLogP	1.3
극성 표면적	52
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	97.1
녹는점	65-69 °C (dec.)(lit.)
끓는 점	289.3±20.0 °C(Predicted)
밀도	1.697±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름에 용해됩니다.
물리적 상태	powder to crystal
pKa(산도 계수)	3.46±0.10(Predicted)
색상	흰색에서 갈색으로
InChI	InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey	WIHHVKUARKTSBU-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(Br)C=C1N

화학적 성질

White solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.DangerH301 (83.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 28-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/75231,2-Benzenediamine, 4-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 3 (83.6%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2811 6.1/PG 3
관세 코드	29215110
위험 문구(R)	25-36/38-43
위험 표시	T
안전 문구(S)	26-36/37-45
포장분류	III
위험 등급	6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
위험 참고 사항	Toxic
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

4-Bromo-o-phenylenediamine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명

4-Bromo-1,2-diaminobenzene can be obtained from 1,2-diaminobenzene via acetylation followed by bromination and alkaline hydrolysis.