2,6-Dibromoaniline

2,6-Dibromanilin · 2,6-Dibromobenzenamine · Dibromoaniline · 2,6-DibromoaniL · 2,6-Dibromoanilin · 2,6-DIBROMOANILINE · 2,6-Bibromoaniline · 2,6-Dibrormoaniline

https://huagongshe.com/ko/chemical/69098

식별자 및 물리적 특성

CAS No.	608-30-0
분자식	C6H5Br2N
평균 분자량	250.92 g/mol
단동위원소 질량	248.87887 g/mol
SMILES	Nc1c(Br)cccc1Br
InChIKey	XIRRDAWDNHRRLB-UHFFFAOYSA-N
PubChem CID	69098
EC No.	210-158-4
DTXSID	DTXSID10209643

화학 및 물리적 성질

XLogP	2.6
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	87
Physical Description	Beige crystalline solid[Sigma-Aldrich MSDS]
Kovats Retention Index	1370
녹는점	80-82 °C (lit.)
끓는 점	262-264 °C (lit.)
밀도	1.9318 (rough estimate)
굴절률	1.5800 (estimate)
인화점	262-264°C
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름, 메탄올에 용해됨
pKa(산도 계수)	0.48±0.10(Predicted)
물리적 상태	결정성 분말
색상	흰색에서 연한 노란색 또는 회색
용해도	물에 불용성.
BRN	2207094
InChI	1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey	XIRRDAWDNHRRLB-UHFFFAOYSA-N
SMILES	Nc1c(Br)cccc1Br
NIST	Benzenamine, 2,6-dibromo-(608-30-0)

화학적 성질

white to pale yellow or grey crystalline powder

안전 및 규제

GHS 분류	DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (81.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 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.
유해성 요약	A skin and strong eye irritantMay induce methemoglobinemiaMay cause skin sensitization[Sigma-Aldrich MSDS] See 2,4,6-Tribromoaniline, 2-Bromoaniline, and 4-Bromoaniline. Search for (608-30-0[EC/RN Number]) AND (allergic OR dermatitis OR sensitization OR sensitizer): no results[PubMed]
Hazard Classes and Categories	Acute Tox. 4 (16.7%)Acute Tox. 3 (10.4%)Skin Irrit. 2 (100%)Skin Sens. 1 (81.2%)Eye Irrit. 2 (100%)STOT SE 3 (95.8%)
유해 작용	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
수질 위해 등급(WGK)	3

용도

2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline1. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.