에틸4-시아노벤조에이트

Ethyl 4-cyanobenzoate

HCID 81589CAS 7153-22-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1ccc(C#N)cc1
InChIKey
JLSSWDFCYXSLQX-UHFFFAOYSA-N
분자식
C10H9NO2
평균 분자량
175.18 g/mol
단동위원소 질량
175.06332853

이름 및 식별자

우선 이름
Ethyl 4-cyanobenzoate
IUPAC
ethyl 4-cyanobenzoate
현지명
에틸4-시아노벤조에이트
영어명
Ethyl 4-cyanobenzoate
분자식
C10H9NO2
분자량
175.18

이름 및 동의어

Ethyl 4-cyanobenzoate7153-22-2Benzoic acid, 4-cyano-, ethyl esterDTXSID10221769EINECS 230-500-6NSC 626894-Cyanobenzoic acid, ethyl esterBENZOIC ACID,4-CYANO,ETHYL ESTERRefChem:138762DTXCID90144260230-500-6InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H
이름 더 보기
에틸4-시아노벤조에이트RARECHEM AL BI 0074ethyl cyanobenzoateEthyl p-cyanobenzoateEthyl 4-cyanobenzoate 99%Ethyl 4-cyanobenzoate,99%Ethyl 4-cyanobenzoate, 97.5%P-CYANOBENZOIC ACID ETHYL ESTER
JLSSWDFCYXSLQX-UHFFFAOYSA-NBenzoic acid, 4-cyano-,ethyl esterMFCD000018244-cyanobenzoic acid ethyl esterp-cyano ethyl benzoate4-Cyano-benzoic acid ethyl esterNSC62689NSC-62689

데이터베이스 식별자

CAS
7153-22-2
PubChem CID
81589
DTXSID
DTXSID10221769
EC Number
230-500-6
Nikkaji
J227.417E

물성

구조 계산 물성

XLogP
2.5
극성 표면적
50.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Kovats Retention Index1393

물리화학적 성질

녹는점
52 · 52-54 °C (lit.)
끓는 점
140 °C/11mmHg · 140°C/11mmHg(lit.)
밀도
1.1999 · 1.1999 (rough estimate)
굴절률
1.506 · 1.5060 (estimate)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.5%): 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, 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 40 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (97.5%)

안전 데이터

wgk
3
HS 번호
29269090
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36-36/37/39
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사50 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

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