2-에틸-6-메틸페닐이소티오시아네이트

2-Ethyl-6-methylphenyl isothiocyanate

HCID 144188CAS 66609-04-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1cccc(C)c1N=C=S
InChIKey: IPCSOFYQRXYMDN-UHFFFAOYSA-N
분자식: C10H11NS
평균 분자량: 177.27 g/mol
단동위원소 질량: 177.06122053

이름 및 식별자

우선 이름: 2-Ethyl-6-methylphenyl isothiocyanate
IUPAC: 1-ethyl-2-isothiocyanato-3-methylbenzene
현지명: 2-에틸-6-메틸페닐이소티오시아네이트
영어명: 2-ETHYL-6-METHYLPHENYL ISOTHIOCYANATE
분자식: C10H11NS
분자량: 177.27

이름 및 동의어

2-Ethyl-6-methylphenyl isothiocyanate66609-04-9DTXSID70216777RefChem:86926DTXCID00139268IPCSOFYQRXYMDN-UHFFFAOYSA-N1-Ethyl-2-isothiocyanato-3-methylbenzene2-ethyl-6-methylphenylisothiocyanateMFCD000410686-ethyl-2-methylbenzenisothiocyanate1-ethyl-2-isothiocyanato-3-methyl-benzeneSCHEMBL1018021

이름 더 보기

2-에틸-6-메틸페닐이소티오시아네이트2-Ethyl-6-methylphenyl isothiocyate2-Ethyl-6-methylphenyl isothiocyanate, 97%,Benzene, 1-ethyl-2-isothiocyanato-3-methyl-

SBB0893142-ethyl-6-methylphenyl-isothiocyanateAKOS003332697AS-81328SY061748DB-0210421-Ethyl-2-isothiocyanato-3-methylbenzene #ST50825106

데이터베이스 식별자

CAS: 66609-04-9
PubChem CID: 144188
DTXSID: DTXSID70216777
EC Number: 671-032-6
Nikkaji: J1.230.328I

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

끓는 점: 88 °C · 88 °C
밀도: 1.06 · 1.06
굴절률: 1.612 · 1.6120
인화점: 88 · 88-91°C/1mm
Specific Gravity: 1.06 · 1.06
BRN: 2360278 · 2360278

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.