o-Bromocumene (HCID 23475)

이름 및 식별자

우선 이름: o-Bromocumene
IUPAC: 1-bromo-2-propan-2-ylbenzene
영어명: 1-Bromo-2-(1-methylethyl)benzene
분자식: C9H11Br
분자량: 199.09

이름 및 동의어

7073-94-11-Bromo-2-(1-methylethyl)benzeneO-BROMOCUMENEEINECS 230-370-0DTXSID80220986RefChem:855209DTXCID10143477230-370-01-Bromo-2-isopropylbenzene2-Bromocumene2-Isopropylbromobenzene1-bromo-2-propan-2-ylbenzene

이름 더 보기

cumene,o-bromo-2-Bromocumene,97%2-Bromocumene >1-Bromo-2-isopropyLmethyl bromobenzene1-Bromo-2-(1-methyle

1-Bromo-2-IsopropYl-BenzeneCumene, o-bromo-1-bromo-2-isopropyl benzeneBenzene, 1-bromo-2-(1-methylethyl)-1-bromo-2-(propan-2-yl)benzeneMFCD000515672-BromoisopropylbenzeneCumene, 2-bromo-

데이터베이스 식별자

CAS: 7073-94-1
PubChem CID: 23475
DTXSID: DTXSID80220986
UNII: 6YV3W8ZB4K
EC Number: 230-370-0
Nikkaji: J44.145G

물성

구조 계산 물성

XLogP: 3.9
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: 98

물리화학적 성질

녹는점: -58.8 °C · -58.8°C
끓는 점: 90 °C · 90 °C
밀도: 1.3 · 1.30
굴절률: 1.541 · 1.5410
인화점: 90 · 90-92°C/15mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.3 · 1.30
수용성: 물에 불용성.
BRN: 1857014 · 1857014
Henry's Law Constant: 1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey: LECYCYNAEJDSIL-UHFFFAOYSA-N
NIST: 1 · Benzene, 1-bromo-2-(1-methylethyl)-(7073-94-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (71.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (14.3%)；Aquatic Chronic 2 (71.4%)

안전 데이터

HS 번호: 2903.99.8001
safety_code: 24/25
위험 등급: 9

화학 및 산업

응용 분야 · 1건

용도1-Bromo-2-(1-methylethyl)benzene serves as a precursor for synthesizing 2-isopropylbenzaldehyde via reaction with lithium metal and N,N-dimethylformamide, and for preparing 2-(2-isopropylphenyl)pyridine derivatives through coupling with tert-butyllithium, 2-(2-isopropylphenyl)pyridine, and pyridine[1].