Propyl cyanoacetate

HCID 84444

기본 정보

CAS
14447-15-5
표준 SMILES
CCCOC(=O)CC#N
InChIKey
NLFIMXLLXGTDME-UHFFFAOYSA-N
분자식
C6H9NO2
평균 분자량
127.14 g/mol
단동위원소 질량
127.06332853

이름 및 식별자

우선 이름
Propyl cyanoacetate
IUPAC
propyl 2-cyanoacetate
영어명
Propyl cyanoacetate
분자식
C6H9NO2
분자량
127.14

이름 및 동의어

Propyl cyanoacetate14447-15-5EINECS 238-424-5AI3-32563RefChem:869732238-424-5propyl 2-cyanoacetaten-Propyl cyanoacetateAcetic acid, cyano-, propyl esterCyanoacetic Acid Propyl EsterAcetic acid, 2-cyano-, propyl esterMFCD00015784
이름 더 보기
PCYAn-PropylcyanatePropylCyanoacetate>cyanoaceticacidpropylester4''-BRORNO-2-CHLOROCHALCONE
cyanoacetic acid n-propyl esterCyanessigsaurepropylesterSCHEMBL926842SCHEMBL1417199SCHEMBL1417200DTXSID5073400NLFIMXLLXGTDME-UHFFFAOYSA-AKOS015915500

데이터베이스 식별자

CAS
14447-15-5
PubChem CID
84444
DTXSID
DTXSID5073400
EC Number
238-424-5
Nikkaji
J134.025E

물성

구조 계산 물성

XLogP
0.9
극성 표면적
50.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
9

물리화학적 성질

끓는 점
216 °C · 216 °C
밀도
1 · 1,03 g/cm3
굴절률
1.42 · 1.4200-1.4230
인화점
108 °C · 108°C
저장 조건
Store at room temperature
수용성
물에 불용성

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 (50%): 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 2 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);STOT SE 3 (50%)

안전 데이터

HS 번호
29269090
risk_code
36/37/38-20/21/22
safety_code
26-36/37/39

화학 및 산업

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

관련 반응

4건

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