CAS 5100-34-5 Ethyl 3-isocyanatopropanoate (HCID 2733373)

이름 및 식별자

우선 이름: Ethyl 3-isocyanatopropanoate
IUPAC: ethyl 3-isocyanatopropanoate
영어명: ETHYL 3-ISOCYANATOPROPIONATE
분자식: C6H9NO3
분자량: 143.14

이름 및 동의어

5100-34-5ethyl 3-isocyanatopropanoatePropanoic acid, 3-isocyanato-, ethyl esterDTXSID50369871RefChem:594998DTXCID50320907627-590-8Ethyl 3-isocyanatopropionateMFCD00078461ethyl N-(oxomethylidene)-beta-alaninateETHYL N-(OXOMETHYLENE)-BETA-ALANINATE(1-ethoxycarbonyl)-ethylisocyanate

이름 더 보기

ethyle3-isocyanatopropionateEthyl 3-isocyanatopropionate,98%Ethyl 3-isocyanatopropionate 98%3-IsocyanatopropionicacidethylesterEthyl 3-isocyanatopropionate, 98% 1GR3-isocyanatopropanoic acid ethyl ester

3-ISOCYANATOPROPIONIC ACID ETHYL ESTERethyl-3-isocyanatopropionateethyl3-isocyanatopropanoateSCHEMBL48378ethyl 3-isocyanato-propionateethyl 3-isocyanatopropion-ateethyl-3-isocyanato-propionateXBSGYVHOINMTIM-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 5100-34-5
PubChem CID: 2733373
DTXSID: DTXSID50369871
EC Number: 627-590-8

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 55.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 68 °C · 68 °C (2 mmHg)
밀도: 1 · 1,087 g/cm3
굴절률: 1.4275 · 1.4275-1.4295
인화점: 92 °C · 92°C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 물과 섞이지 않습니다.
BRN: 1705618 · 1705618
InChI: 1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3
InChIKey: XBSGYVHOINMTIM-UHFFFAOYSA-N
SMILES: CCOC(=O)CCN=C=O

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): 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 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (90.9%)；Resp. Sens. 1 (13.6%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 2206
HS 번호: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 37/39-36-26-23
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도Ethyl 3-isocyanatopropionate can be used to produce 3-[1-(2-dimethylamino-ethylcarbamoyl)-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yloxycarbonylamino]-propionic acid ethyl ester with 9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxylic acid (2-dimethylamino-ethyl)-amide.

일반 설명Ethyl 3-isocyanatopropionate, also known as ethyl N-(oxomethylene)-β-alaninate, is an aliphatic isocyanate.