2-Methoxyphenyl Isothiocyanate (HCID 520599)

이름 및 식별자

우선 이름: 2-Methoxyphenyl Isothiocyanate
IUPAC: 1-isothiocyanato-2-methoxybenzene
영어명: 2-Methoxyphenyl isothiocyanate
분자식: C8H7NOS
분자량: 165.21

이름 및 동의어

2-Methoxyphenyl isothiocyanate3288-04-8Benzene, 1-isothiocyanato-2-methoxy-o-Methoxyphenyl isothiocyanateDTXSID10334404RefChem:87939DTXCID80285494628-241-2QKAOOWJWWKWWOZ-UHFFFAOYSA-N1-Isothiocyanato-2-methoxybenzene2-METHOXYPHENylisoTHIOCYANATEMFCD00011675

이름 더 보기

guaiacyl isothiocyanateo-Anisyl isothiocyanate2-Methoxy-1-isothiocyanatobenzene2-Methoxyphenyl isothiocyate, 99%2-Methoxyphenyl isothiocyanate 98%2-Methoxyphenyl isothiocyanate,99%

SCHEMBL331765orthomethoxyphenyl isothiocyanate1-isothiocyanato-2-methoxy-benzene2-isothiocyanato-1-methoxy-benzeneIsothiocyanic Acid 2-Methoxyphenyl EsterBP-10889I05122-methoxybenzenisothiocyanate

데이터베이스 식별자

CAS: 3288-04-8
PubChem CID: 520599
DTXSID: DTXSID10334404
EC Number: 628-241-2
Nikkaji: J265.503I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 53.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 264 · 264-266 °C
밀도: 1.19 · 1.19
굴절률: 1.6433 · 1.6433-1.6453
인화점: 110 °C · >110°C
물리적 상태: 액체
Specific Gravity: 1.196 · 1.196
색상: 맑은 연한 노란색
수용성: 물과 반응합니다.
BRN: 638293 · 638293
InChI: 1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChIKey: QKAOOWJWWKWWOZ-UHFFFAOYSA-N
SMILES: COc1ccccc1N=C=S
LogP: 4 · 4.000 (est)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.