1-Methoxy-4-(trifluoromethoxy)benzene

HCID 2724973CAS 710-18-9

기본 정보

표준 SMILES: COc1ccc(OC(F)(F)F)cc1
InChIKey: NOAFZIOGGDPYKK-UHFFFAOYSA-N
분자식: C8H7F3O2
평균 분자량: 192.13 g/mol
단동위원소 질량: 192.03981412

이름 및 식별자

우선 이름: 1-Methoxy-4-(trifluoromethoxy)benzene
IUPAC: 1-methoxy-4-(trifluoromethoxy)benzene
영어명: 4-(Trifluoromethoxy)anisole
분자식: C8H7F3O2
분자량: 192.14

이름 및 동의어

710-18-91-methoxy-4-(trifluoromethoxy)benzeneNOAFZIOGGDPYKK-UHFFFAOYSA-RefChem:433541615-239-1InChI=1/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H34-(Trifluoromethoxy)anisole4-trifluoromethoxyanisoleMFCD00216942trifluoro(4-methoxyphenoxy)methaneBenzene, 1-methoxy-4-(trifluoromethoxy)-SCHEMBL160011

이름 더 보기

S37/39uoromethoxy)anisoL4-(Trifluoromethoxy)AP-(TRIFLUOROMETHOXY)ANISOLEFor trifluoromethoxy anisole4-(Trifluoromethoxy)anisole98%4-(Trifluoromethoxy)anisole 98%4-(Trifluoromethoxy)anisole, 99+%

SCHEMBL514499SCHEMBL514500SCHEMBL1068038DTXSID60369307XUXZDVZINBFGOV-UHFFFAOYSA-N4-(Trifluoromethoxy)anisole, 98%2-methoxy-5-trifluoromethoxybenzeneSBB091375

데이터베이스 식별자

CAS: 710-18-9
PubChem CID: 2724973
DTXSID: DTXSID60369307
EC Number: 615-239-1
Nikkaji: J978.662G

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 150

물리화학적 성질

끓는 점: 164 °C · 164 °C (lit.)
밀도: 1.266 g/mL · 1.266 g/mL at 25 °C (lit.)
굴절률: 1.4309 · 1.4309-1.4329
인화점: 58 °C · 58°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.266 · 1.266
색상: Clear, colourless
BRN: 2556809 · 2556809
InChI: 1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3
InChIKey: NOAFZIOGGDPYKK-UHFFFAOYSA-N
SMILES: COc1ccc(OC(F)(F)F)cc1

화학적 성질

Clear faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

안전 데이터

wgk: 3
ridadr: UN1993
HS 번호: 29093090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,F,Xn
safety_code: 37/39-26-36-23
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids