3-브로모-오르토-크실렌

3-Bromo-o-xylene

HCID 68472CAS 576-23-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(Br)c1C
InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N
분자식: C8H9Br
평균 분자량: 185.06 g/mol
단동위원소 질량: 183.98876

이름 및 식별자

우선 이름: 3-Bromo-o-xylene
IUPAC: 1-bromo-2,3-dimethylbenzene
현지명: 3-브로모-오르토-크실렌
영어명: 2,3-Dimethylbromobenzene
분자식: C8H9Br
분자량: 185.06

이름 및 동의어

3-Bromo-o-xyleneEINECS 209-398-2DTXSID90206231NSC 76561RefChem:499288DTXCID90128722209-398-2576-23-82,3-Dimethylbromobenzene1-Bromo-2,3-dimethylbenzene3-Bromo-1,2-dimethylbenzene1-bromo-2,3-dimethyl-benzene

이름 더 보기

3-브로모-O-자일렌3-브로모-오르토-크실렌3-Brom-o-xylol3-Bromo-1-xylene3-Bromoxylene,99%3-Bromo-1，2-xylene3-Bromoxylene, 99%3-Bromo-o-xylene,99%3-Bromo-1,2-dimethyL

2,3-Dimethyl bromobenzeneBenzene, 1-bromo-2,3-dimethyl-MFCD00000069NSC-76561bromoxileneXylylbromidbromo-o-xyleneNSC76561

데이터베이스 식별자

CAS: 576-23-8
PubChem CID: 68472
DTXSID: DTXSID90206231
UNII: MMB6CL2XRC
EC Number: 209-398-2
Nikkaji: J94.992B

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: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 90

물리화학적 성질

녹는점: -20.49 °C · -20.49°C (estimate)
끓는 점: 214 °C · 214 °C(lit.)
밀도: 1.365 g/mL · 1.365 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.560(lit.)
인화점: 177 °F · 177 °F
저장 조건: 30 °C · Store below +30°C.
용해도: soluble in Chloroform, DMSO, Methanol
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.365 · 1.365
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 2077312 · 2077312
InChI: 1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N
SMILES: Cc1cccc(Br)c1C
NIST: 1 · Benzene, 1-bromo-2,3-dimethyl-(576-23-8)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 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

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22533

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)；Eye Irrit. 2A (100%)；STOT SE 3 (92.5%)

규제 정보

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22533

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Bromo-o-xylene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

상·하류 제품 정보

하류 제품

공급사50 곳

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