2-(Methoxymethyl)aniline

HCID 12334306

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기본 정보

CAS: 62723-78-8
표준 SMILES: COCc1ccccc1N
InChIKey: ZHERWZMAGGWSIX-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2-(Methoxymethyl)aniline
IUPAC: 2-(methoxymethyl)aniline
영어명: 2-(methoxymethyl)aniline
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2-(methoxymethyl)aniline62723-78-8DTXSID30491023RefChem:84765DTXCID00441833815-868-3MFCD098117782-methoxymethylanilineBenzenamine, methoxymethyl-Benzenamine, 2-(methoxymethyl)-o-methoxymethylanilineSCHEMBL1720477

이름 더 보기

SCHEMBL27866350ZHERWZMAGGWSIX-UHFFFAOYSA-NMCA72378AKOS000159241BS-13226SY175179EN300-41039G41901

데이터베이스 식별자

CAS: 62723-78-8
PubChem CID: 12334306
DTXSID: DTXSID30491023
EC Number: 815-868-3
Nikkaji: J1.802.504C

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

끓는 점: 106 · 106-108 °C(Press: 11 Torr)
밀도: 1.048 · 1.048±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.68 · 3.68±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.8%): 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 31 reports by companies from 4 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.