4-ETHOXYCARBONYLPHENYL이소티오시아네이트

Ethyl 4-isothiocyanatobenzoate

HCID 71003CAS 1205-06-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1ccc(N=C=S)cc1
InChIKey: MLOJHUCMCKBDLV-UHFFFAOYSA-N
분자식: C10H9NO2S
평균 분자량: 207.25 g/mol
단동위원소 질량: 207.0353997

이름 및 식별자

우선 이름: Ethyl 4-isothiocyanatobenzoate
IUPAC: ethyl 4-isothiocyanatobenzoate
현지명: 4-ETHOXYCARBONYLPHENYL이소티오시아네이트
영어명: 4-Ethoxycarbonylphenyl isothiocyanate
분자식: C10H9NO2S
분자량: 207.25

이름 및 동의어

Ethyl 4-isothiocyanatobenzoate1205-06-7Benzoic acid, 4-isothiocyanato-, ethyl esterEINECS 214-880-0DTXSID80152879NSC 294821RefChem:138774DTXCID4075370214-880-0InChI=1/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H4-Ethoxycarbonylphenyl isothiocyanate4-Ethoxycarbonylphenylisothiocyanate

이름 더 보기

4-ETHOXYCARBONYLPHENYL이소티오시아네이트arsinidynedysprosium4-Ethoxyxyphenyl isothiocyanateEthyl4-isothiocyanatobenzoate98%p-Carbethoxyphenyl isothiocyanate4-Carbethoxyphenyl isothiocyanateEthyl 4-isothiocyanatobenzoate 98%

MFCD000220584-(ethoxycarbonyl)phenyl isothiocyanate4-Isothiocyanatobenzoic acid ethyl esterethyl p-isothiocyanatobenzoatep-carbethoxyphenylisothiocyanateSCHEMBL1457515Ethyl 4-isothiocyanatobenzoate #4-carboethoxyphenyl isothiocyanate

데이터베이스 식별자

CAS: 1205-06-7
PubChem CID: 71003
DTXSID: DTXSID80152879
EC Number: 214-880-0
Nikkaji: J217.048E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 57 °C · 57 °C
끓는 점: 123 · 123-127°C 1mm
밀도: 1.2784 · 1.2784 (rough estimate)
굴절률: 1.525 · 1.5250 (estimate)
인화점: 123 · 123-127°C/1mm
저장 조건: 0 · Store at 0-8 °C
물리적 상태: 융합된 고체
색상: 하얀색
수용성: 18.65 mg/L · 18.65mg/L(25℃)
BRN: 2213400 · 2213400

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 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 46 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.