trans-Crotonyl chloride (HCID 643131)

이름 및 식별자

우선 이름: trans-Crotonyl chloride
IUPAC: (E)-but-2-enoyl chloride
영어명: (E)-2-Butenoyl chloride
분자식: C4H5ClO
분자량: 104.53

이름 및 동의어

625-35-4trans-crotonyl chlorideDTXSID201314046RefChem:1100263DTXCID20211232Crotonoyl chlorideCrotonyl chloride(E)-2-Butenoyl chloride(E)-but-2-enoyl chloride(2E)-but-2-enoyl chlorideCrotonic acid chloride2-butenoyl chloride, (2E)-

이름 더 보기

CrotonoyLEinecs 210-889-9(E)-CH3CH=CHCOClCROTONIC CHLORIDEE-CrotonoylchlorideE-CROTONYL CHLORIDE2-Crotonoyl chloride(E)-2-Butenoyl chlor

2-Butenoyl chloride, (E)-MFCD00000734(2E)-2-Butenoyl chloride #E-Crotonoyl chlorideCrotonoyl chloride (E)-rac-Crotonoyl Chloride(2E)-2-Butenoyl chloridebut-2-enoylchloride

데이터베이스 식별자

CAS: 10487-71-5、625-35-4
PubChem CID: 643131
DTXSID: DTXSID201314046
EC Number: 210-889-9
Nikkaji: J26.701E、J4.367B

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 75

실험 및 물리화학적 성질

Physical DescriptionPale yellow liquid with an acrid odor; [Alfa Aesar MSDS]

Kovats Retention Index796

물리화학적 성질

녹는점: 72 · 72-74 °C
끓는 점: 120 · 120-123 °C(lit.)
밀도: 1.091 g/mL · 1.091 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.459(lit.)
인화점: 95 °F · 95 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색투명~갈색
수용성: 물과 반응합니다.
BRN: 506118 · 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 · 2-Butenoyl chloride, (E)-(625-35-4)

화학적 성질

clear colourless to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (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 exposure; Respiratory 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 정보

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (87.2%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

안전 데이터

wgk: 3
tsca: Yes
ridadr: UN 2920 8/PG 2
HS 번호: 29161900
risk_code: 10-34-36/37-37
hazard_code: C
safety_code: 16-26-27-36/37/39-45-28A-24/25
포장분류: II
위험 등급: 8
F 고인화성물질: 13-19-21
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

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