4-Nitro-2-(trifluoromethyl)anisole

HCID 69562CAS 654-76-2

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIKey: KGFADEJSZXEVMC-UHFFFAOYSA-N
분자식: C8H6F3NO3
평균 분자량: 221.13 g/mol
단동위원소 질량: 221.02997771

이름 및 식별자

우선 이름: 4-Nitro-2-(trifluoromethyl)anisole
IUPAC: 1-methoxy-4-nitro-2-(trifluoromethyl)benzene
영어명: 2-Methoxy-5-nitrobenzotrifluoride
분자식: C8H6F3NO3
분자량: 221.13

이름 및 동의어

4-Nitro-2-(trifluoromethyl)anisoleEINECS 211-507-3DTXSID40215712NSC 88331RefChem:525859DTXCID70138203211-507-32-Methoxy-5-nitrobenzotrifluoride654-76-21-Methoxy-4-nitro-2-(trifluoromethyl)benzeneMFCD000073285-Nitro-2-methoxybenzotrifluoride

이름 더 보기

LABOTEST-BB LT008481892-Trifluoromethyl-4-nitroanisole2-methoxy-5-nitrotrifluorotoluene2-Methoxy-5-nitrobenzotrifluoride99%2-Methoxy-5-nitrobenzotrifluoride 99%2-Methoxy-5-nitrobenzotrifluoride, 98+%2-METHOXY-5-NITRO(TRIFLUOROMETHYL)BENZENE

Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-1-Methoxy-4-nitro-2-trifluoromethyl-benzeneNSC88331NCIOpen2_005268SCHEMBL1494244SCHEMBL300386012-methoxy-5-nitro-benzotrifluorideNSC-88331

데이터베이스 식별자

CAS: 654-76-2
PubChem CID: 69562
DTXSID: DTXSID40215712
EC Number: 211-507-3
Nikkaji: J205.945B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 79 · 79-81 °C(lit.)
끓는 점: 267.2 · 267.2±40.0 °C(Predicted)
밀도: 1.392 · 1.392±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
BRN: 2129987 · 2129987

화학적 성질

white to light yellow crystal powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.