2,6-Dibromoaniline (HCID 69098)

이름 및 식별자

우선 이름: 2,6-Dibromoaniline
IUPAC: 2,6-dibromoaniline
영어명: 2,6-Dibromoaniline
분자식: C6H5Br2N
분자량: 250.92

이름 및 동의어

2,6-Dibromoaniline608-30-0Aniline, 2,6-dibromo-2,6-DibromobenzenamineEINECS 210-158-4DTXSID10209643NSC 305RefChem:83143DTXCID60132134210-158-4InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HXIRRDAWDNHRRLB-UHFFFAOYSA-N

이름 더 보기

2,6-DibromanilinDibromoaniline2,6-DibromoaniL2,6-Bibromoaniline2,6-Dibrormoaniline

Benzenamine, 2,6-dibromo-2,6-dibromophenylamineMFCD000076382,6-Dibromobenzanamine2,6-Dibromoanilin2768654-99-3Benzenamine,2,6-dibromo-2,6-Dibromobenzenamine-d3

데이터베이스 식별자

CAS: 608-30-0
PubChem CID: 69098
DTXSID: DTXSID10209643
EC Number: 210-158-4
Nikkaji: J95.569H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87

실험 및 물리화학적 성질

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Kovats Retention Index1370；1370

물리화학적 성질

녹는점: 80 · 80-82 °C (lit.)
끓는 점: 262 · 262-264 °C (lit.)
밀도: 1.9318 · 1.9318 (rough estimate)
굴절률: 1.58 · 1.5800 (estimate)
인화점: 262 · 262-264°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 0.48 · 0.48±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 연한 노란색 또는 회색
수용성: 물에 불용성.
BRN: 2207094 · 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: 2 · Benzenamine, 2,6-dibromo-(608-30-0)

화학적 성질

white to pale yellow or grey crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (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 exposure; Respiratory 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 정보

Hazards Summary · 1건

A skin and strong eye irritant; May induce methemoglobinemia; May 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 CategoriesAcute Tox. 4 (16.7%)；Acute Tox. 3 (10.4%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (81.2%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (95.8%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
F 고인화성물질: 10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,5-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.