3-Chloro-2-methylanisole

HCID 76749CAS 3260-88-6

기본 정보

표준 SMILES: COc1cccc(Cl)c1C
InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: 3-Chloro-2-methylanisole
IUPAC: 1-chloro-3-methoxy-2-methylbenzene
영어명: 3-chloro-2-methoxyanisole
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

3260-88-63-Chloro-2-methylanisole1-chloro-3-methoxy-2-methylbenzene2-Chloro-6-methoxytolueneBENZENE, 1-CHLORO-3-METHOXY-2-METHYL-2-METHOXY-6-CHLOROTOLUENEB25BTP9CQMEINECS 221-862-6DTXSID10745996-chloro-2-methoxytolueneANISOLE, 3-CHLORO-2-METHYL-LTVRGAWOEOKGJZ-UHFFFAOYSA-

이름 더 보기

3-chloro-2-methoxyanisole3-chloro-2-methylanisole,98%2-Chloro-6-methoxytoluene >1-Chloro-3-methoxy-2-methylbenzene3-chloro-2-methylbenzenemethylether

RefChem:499800DTXCID0038544221-862-6InChI=1/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H32-Methyl-3-chloroanisoleMFCD00070772SY049178C13337

데이터베이스 식별자

CAS: 3260-88-6
PubChem CID: 76749
DTXSID: DTXSID1074599
UNII: B25BTP9CQM
EC Number: 221-862-6
Nikkaji: J262.360I

물성

구조 계산 물성

XLogP: 3.5
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: -3 °C · -3°C
끓는 점: 213 · 213-217 °C (lit.)
밀도: 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.42(lit.)
인화점: 140 °F · 140 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1862220 · 1862220
InChI: 1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N
SMILES: COc1cccc(Cl)c1C
EPA: 1 · Benzene, 1-chloro-3-methoxy-2-methyl- (3260-88-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Benzene, 1-chloro-3-methoxy-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-3-methoxy-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 2909.50.5000
hazard_code: Xi
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

U.S. Production2021: 105,822 lb

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-2-methyl-: ACTIVE

응용 분야

용도Arene-manganese tricarbonyl complexes are prepared using 3-Chloro-2-methylanisole.

일반 설명3-Chloro-2-methylanisole can be prepared via trifluoroacetic (TFA) anhydride reaction. Enthalpy of vaporization of 3-chloro-2-methylanisole at boiling point (488.15K) is 42.747kjoule/mol.