Benzenamine, 2,6-dimethoxy-

HCID 95940CAS 2734-70-5

기본 정보

표준 SMILES: COc1cccc(OC)c1N
InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N
분자식: C8H11NO2
평균 분자량: 153.18 g/mol
단동위원소 질량: 153.07897859

이름 및 식별자

우선 이름: Benzenamine, 2,6-dimethoxy-
IUPAC: 2,6-dimethoxyaniline
영어명: 2,6-Dimethoxyaniline
분자식: C8H11NO2
분자량: 153.18

이름 및 동의어

Benzenamine, 2,6-dimethoxy-NSC 437582,6-Dimethoxy anilineDTXSID50181777RefChem:117200DTXCID90104268HQBJSEKQNRSDAZ-UHFFFAOYSA-N2,6-Dimethoxyaniline2734-70-52,6-dimethoxyphenylamine2,6-dimethoxybenzenamine2,6-Dimethoxy-phenylamine

이름 더 보기

BUTTPARK 33\04-692,6-Dimethoxyaniline >2,6-Dimethoxyaniline 98%2,6-Dimethoxyaniline ,98%2,6-Dimethoxyaniline, 97%

MFCD000539342 6-dimethoxyanilineNSC43758NSC-43758AKOS000302074PS-5218EN300-109597FT-0600952

데이터베이스 식별자

CAS: 2734-70-5
PubChem CID: 95940
DTXSID: DTXSID50181777
EC Number: 679-090-4
Nikkaji: J175.237E

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 71 · 71-74
끓는 점: 254 ℃ · 254℃
밀도: 1.096 · 1.096
굴절률: 1.477 · 1.4770 (estimate)
인화점: 116 ℃ · 116℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.48 · 4.48±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N
SMILES: C1(N)=C(OC)C=CC=C1OC

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca: N
ridadr: UN2811
HS 번호: 29214200
risk_code: 20/21/22-36/37/38-36-33
hazard_code: Xi,T
safety_code: 26-36/37/39-36/37-28
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic/Irritant

화학 및 산업

응용 분야 · 1건

용도2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.