1-Bromo-4-methoxy-2-methylbenzene (HCID 117915)

이름 및 식별자

우선 이름: 1-Bromo-4-methoxy-2-methylbenzene
IUPAC: 1-bromo-4-methoxy-2-methylbenzene
현지명: 2-브로모-5-메톡시톨루엔
영어명: 2-Bromo-5-methoxytoluene
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

27060-75-94-Bromo-3-methylanisole1-bromo-4-methoxy-2-methylbenzene2-Bromo-5-methoxytolueneBenzene, 1-bromo-4-methoxy-2-methyl-1-BROMO-2-METHYL-4-METHOXYBENZENEDTXSID1029338BLZNSXFQRKVFRP-UHFFFAOYSA-OKR329132JJ32.078ADTXCID609338ANISOLE, 4-BROMO-3-METHYL-

이름 더 보기

2-브로모-5-메톡시톨루엔2-Bromo-4-methoxy-1-methylbenzene4-Bromo-3-methylanis3-Methyl-4-bromoanisole4-BroMo-3-Met hy1-ani sole4-BROMO-3-METHYLANISOLE 95%2-Bromo-5-methoxytoluene 98%2-Bromo-5-methoxytoluene,97%

RefChem:430657678-025-7InChI=1/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3MFCD000606871-bromo-4-methoxy-2-methyl-benzene2-bromo-5-methoxy tolueneSCHEMBL838442AKOS000185073

데이터베이스 식별자

CAS: 27060-75-9
PubChem CID: 117915
DTXSID: DTXSID1029338
ChEMBL: CHEMBL3188545
UNII: OKR329132J
EC Number: 678-025-7
Nikkaji: J32.078A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 16.5 °C · 16.5 °C
끓는 점: 111 · 111-112 °C15 mm Hg(lit.)
밀도: 1.424 g/mL · 1.424 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.561(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 물: 용해성(부분적으로 혼화성)(lit.)
물리적 상태: 액체
Specific Gravity: 1.424 · 1.424
색상: 무색투명~미황색
수용성: water: soluble (Partially miscible)(lit.)
BRN: 1933865 · 1933865
InChI: 1S/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
InChIKey: BLZNSXFQRKVFRP-UHFFFAOYSA-N
SMILES: COc1ccc(Br)c(C)c1
NIST: 2 · 2-Bromo-5-methoxytoluene(27060-75-9)
EPA: 2 · 2-Bromo-5-methoxytoluene (27060-75-9)

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Benzene, 1-bromo-4-methoxy-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29093090
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-bromo-4-methoxy-2-methyl-: ACTIVE

응용 분야 · 1건

용도2-bromo-5-methoxytoluene could be used to syntheis 4-bromo-3-(bromomethyl)anisole. In specifically, to a CCl4 solution (125 mL) of 2-bromo-5-methoxytoluene (0.050 mol) and NBS (0.055 mol) was added AIBN (0.001 mol), and the mixture was stirred at 80 °C for 18 h. The mixture was diluted with hexane before filtration through a Celite pad. Evaporation of the solvent and washing the residue with ethyl acetate gave 4-bromo-3-(bromomethyl)anisole.