1,3,5-Tris(bromomethyl)benzene

HCID 530258CAS 18226-42-1

기본 정보

표준 SMILES: BrCc1cc(CBr)cc(CBr)c1
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
분자식: C9H9Br3
평균 분자량: 356.88 g/mol
단동위원소 질량: 353.82543659

이름 및 식별자

우선 이름: 1,3,5-Tris(bromomethyl)benzene
IUPAC: 1,3,5-tris(bromomethyl)benzene
영어명: 1,3,5-Tris(bromomethyl)benzene
분자식: C9H9Br3
분자량: 356.88

이름 및 동의어

1,3,5-Tris(bromomethyl)benzene18226-42-1Benzene, 1,3,5-tris(bromomethyl)-DTXSID20336232RefChem:72361DTXCID70287321629-248-3GHITVUOBZBZMND-UHFFFAOYSA-N1,3,5-(Tribromomethyl)benzeneMFCD00182500tris-(Bromomethyl)benzenealpha,alpha',alpha''-Tribromomesitylene

이름 더 보기

1,3,5-Tris(bromometh1,3,5-Tris(bromomethyL1，3，5-tri(bromethyl)benzene1,3,5-TRIS(BROMOMETHYL)BENZENE,98%1 3 5-TRIS(BROMOMETHYL)BENZENE 971,3,5-Tris(broMoMethyl)benzene 97%

1,3,5-trisbromomethyl benzeneAKOS015836010CS-W004613PS-99891,3,5-Tris(bromomethyl)benzene, 97%EN300-218677Q274679341,3,5-tri(bromomethyl)benzene

데이터베이스 식별자

CAS: 18226-42-1
PubChem CID: 530258
DTXSID: DTXSID20336232
EC Number: 629-248-3
Nikkaji: J545.079I

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 91.2

물리화학적 성질

녹는점: 94 · 94-99 °C
끓는 점: 352.2 · 352.2±37.0 °C(Predicted)
밀도: 2.005 · 2.005±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
SMILES: C1(CBr)=CC(CBr)=CC(CBr)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29039990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도1,3,5-Tris(bromomethyl)benzene can be used to treat bacterial infections and potentiation of antibiotics.

일반 설명1,3,5-Tris(bromomethyl)benzene has three bromo substituents around an aromatic ring that can be used as a cross-linker. It is mainly utilized in the synthesis of ligands and dendrimeric monomers.