1-Bromomethyl-2,6-dichlorobenzene (HCID 30159)

이름 및 식별자

우선 이름: 1-Bromomethyl-2,6-dichlorobenzene
IUPAC: 2-(bromomethyl)-1,3-dichlorobenzene
영어명: 2,6-Dichlorobenzyl bromide
분자식: C7H5BrCl2
분자량: 239.92

이름 및 동의어

2,6-Dichlorobenzyl bromide20443-98-5Benzene, 2-(bromomethyl)-1,3-dichloro-alpha-Bromo-2,6-dichlorotoluene1-Bromomethyl-2,6-dichlorobenzeneEINECS 243-827-4NSC 93898BRN 0637351MP9K6Y018HNSC-93898TOLUENE, alpha-BROMO-2,6-DICHLORO-DTXSID60174392

이름 더 보기

2-(BROMOMETHYL)-1,3-DICHLOROBENZENEVilanterol Impurity 326-Dichlorobenzyl broMide2,6-Didhlorobenzylbromideà-bromo-2,6-dichlorotolueneA-BROMO-2,6-DICHLOROTOLUENEα-Bromo-2,6-dichlorotolueneDICHLOROBENZYL(2,6-) BROMIDE2,6-two chlorobenzyl broMide

4-05-00-00834 (Beilstein Handbook Reference)RefChem:4307662,6dichlorobenzyl bromideToluene, alphabromo2,6dichloroDTXCID2096883Benzene, 2(bromomethyl)1,3dichloroBenzene, 2(bromomethyl)1,3dichloro (9CI)Benzene, 2-(bromomethyl)-1,3-dichloro-(9CI)

데이터베이스 식별자

CAS: 20443-98-5
PubChem CID: 30159
DTXSID: DTXSID60174392
UNII: MP9K6Y018H
EC Number: 243-827-4
Nikkaji: J59.688D

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical DescriptionWhite crystals with a pungent odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 54 · 54-56 °C(lit.)
끓는 점: 110 °C · >110°C
밀도: 1.5832 · 1.5832 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
물리적 상태: 결정 또는 결정성 분말
색상: 무색~백색
BRN: 637351 · 637351
InChI: InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: PDFGFQUSSYSWNI-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=CC(Cl)=C1CBr
NIST: 2 · Benzene, 2-(bromomethyl)-1,3-dichloro-(20443-98-5)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, 2-(bromomethyl)-1,3-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 75 mg/kg; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
rtecs: XS7966000
ridadr: UN 3261 8/PG 2
HS 번호: 29039990
risk_code: 34-36/37-36
hazard_code: C
safety_code: 22-26-27-28-36/37/39-45-25
포장분류: II
위험 등급: 8
F 고인화성물질: 19
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2,6-Dichlorobenzyl Bromide is used in the preparation of potent epoxide hydrolase inhibitors. Has shown thus far to relieve hypotension in lipopolysaccharide deficient murine models. As well they have been used in the synthesis of anti-HIV drugs based on diaryltriazine (DATA) analogues.