2,4,5-트리메톡시아닐린

2,4,5-Trimethoxyaniline

HCID 12410138

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26510-91-8
표준 SMILES: COc1cc(OC)c(OC)cc1N
InChIKey: SXVWPPJHFOCGAD-UHFFFAOYSA-N
분자식: C9H13NO3
평균 분자량: 183.2 g/mol
단동위원소 질량: 183.08954328

이름 및 식별자

우선 이름: 2,4,5-Trimethoxyaniline
IUPAC: 2,4,5-trimethoxyaniline
현지명: 2,4,5-트리메톡시아닐린
영어명: 2,4,5-Trimethoxyaniline
분자식: C9H13NO3
분자량: 183.2

이름 및 동의어

2,4,5-TRIMETHOXYANILINE26510-91-8DTXSID80496967RefChem:245578DTXCID80447777862-889-9MFCD03840519Benzenamine, 2,4,5-trimethoxy-2,4,5-trimethoxy-phenylamine245-Trimethoxyaniline2,4,5-trimethoxy anilineSCHEMBL1708452

이름 더 보기

2,4,5-트리메톡시아닐린2,4,5-Trimethoxyanlline5-AMINO-1,2,4-TRIMETHOXYBENZENE2,4,5-Trimethoxyaniline Hydrochloride

SXVWPPJHFOCGAD-UHFFFAOYSA-NAKOS009395818FT70210DS-17183SY114772CS-0312110EN300-110315F19854

데이터베이스 식별자

CAS: 26510-91-8
PubChem CID: 12410138
DTXSID: DTXSID80496967
EC Number: 862-889-9
Nikkaji: J2.598.650D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 53.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 93 · 93-95 °C
끓는 점: 305.5 · 305.5±37.0 °C(Predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.