CAS 1687-53-2 5-Amino-2-methoxyphenol (HCID 74314)

기본 정보

CAS: 1687-53-2
표준 SMILES: COc1ccc(N)cc1O
InChIKey: BLQFHJKRTDIZLX-UHFFFAOYSA-N
분자식: C7H9NO2
평균 분자량: 139.15 g/mol
단동위원소 질량: 139.06332853

이름 및 식별자

우선 이름: 5-Amino-2-methoxyphenol
IUPAC: 5-amino-2-methoxyphenol
현지명: 5-아미노-2-메톡시페놀
영어명: 5-Amino-2-methoxyphenol
분자식: C7H9NO2
분자량: 139.15

이름 및 동의어

5-Amino-2-methoxyphenol1687-53-2Phenol, 5-amino-2-methoxy-EINECS 216-873-8DTXSID60168594RefChem:532199DTXCID8091085216-873-83-Hydroxy-4-methoxyaniline5-Aminoguaiacol2-Methoxy-5-aminophenolMFCD00010222

이름 더 보기

5-아미노-2-메톡시페놀TIMTEC-BB SBB0078845-Aminoguaiacol, Tech3-hydroxy-p-anisidine5-Amino-2-Methyoxyphenol5-AMINO-2-METHOXYPHENOL 99%

3-Amino-6-methoxyphenol5-amino-2-(methyloxy)phenol(3-Hydroxy-4-methoxyphenyl)amine5-amino-2-methoxy-phenolGuaiacol, 5-amino-3-hydroxy4-methoxyaniline5-amino-2-methoxy phenol3-hydroxy-4-methoxylaniline

데이터베이스 식별자

CAS: 1687-53-2
PubChem CID: 74314
DTXSID: DTXSID60168594
ChEMBL: CHEMBL4777229
UNII: 27QG246JAK
EC Number: 216-873-8
Nikkaji: J80.288C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 55.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 130 · 130-132 °C(lit.)
끓는 점: 255.1 °C · 255.1°C (rough estimate)
밀도: 1.1997 · 1.1997 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 물에 약간 용해됨
산도 계수 (pKa): 10.02 · 10.02±0.10(Predicted)
물리적 상태: powder to crystal
색상: Light yellow to Amber to Dark green
수용성: 약간 용해됨
BRN: 2717084 · 2717084
InChI: InChI=1S/C7H9NO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,8H2,1H3
InChIKey: BLQFHJKRTDIZLX-UHFFFAOYSA-N
SMILES: C1(O)=CC(N)=CC=C1OC
NIST: 5 · 5-Amino-2-methoxyphenol(1687-53-2)

화학적 성질

grey-brown to dark brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenol, 5-amino-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29225000
risk_code: 20/21/22-36/37/38-20/22
hazard_code: Xn
safety_code: 26-36-37/39
포장분류: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids