trans-Crotonyl chloride

(E)-But-2-enoyl chloride · CROTONYL CHLORIDE · CrotonoyL · Einecs 210-889-9 · (E)-CH3CH=CHCOCl · CROTONIC CHLORIDE · E-Crotonoylchloride · E-CROTONYL CHLORIDE

https://huagongshe.com/ko/chemical/643131

식별자 및 물리적 특성

CAS No.	10487-71-5
분자식	C4H5ClO
평균 분자량	104.53 g/mol
단동위원소 질량	104.0028925 g/mol
SMILES	C/C=C/C(=O)Cl
InChIKey	RJUIDDKTATZJFE-NSCUHMNNSA-N
PubChem CID	643131
EC No.	210-889-9
DTXSID	DTXSID201314046

화학 및 물리적 성질

XLogP	1.6
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	75
Physical Description	Pale yellow liquid with an acrid odor[Alfa Aesar MSDS]
Kovats Retention Index	796
녹는점	72-74 °C
끓는 점	120-123 °C(lit.)
밀도	1.091 g/mL at 25 °C(lit.)
굴절률	n20/D 1.459(lit.)
인화점	95 °F
저장 조건	2-8°C
물리적 상태	액체
색상	무색투명~갈색
용해도	물과 반응합니다.
BRN	506118
InChI	InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+
InChIKey	RJUIDDKTATZJFE-NSCUHMNNSA-N
SMILES	C(Cl)(=O)/C=C/C
NIST	2-Butenoyl chloride, (E)-(625-35-4)

화학적 성질

clear colourless to brown liquid

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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 요약	Reacts with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS]
Hazard Classes and Categories	Flam. Liq. 3 (100%)Skin Corr. 1B (100%)STOT SE 3 (87.2%)
유해 작용	Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
수질 위해 등급(WGK)	3
TSCA 등재 상태	Yes
운송 번호(UN)	UN 2920 8/PG 2
관세 코드	29161900
위험 문구(R)	10-34-36/37-37
위험 표시	C
안전 문구(S)	16-26-27-36/37/39-45-28A-24/25
포장분류	II

용도

Crotonyl chloride is used in agrochemical, pharmaceutical and dyestuff field. Crotonoyl chloride was used in the synthesis of α,β-unsaturated ester.