Acetic acid, 2,2-dichloro-, 1,1'-anhydride

DICHLOROACETIC ANHYDRIDE · DICHOLOROACETIC ANHYDRIDE · Dichloroacetetic anhydride · dichloro-aceticacianhydride · BIS(DICHLOROACETIC)ANHYDRIDE · Dichloroacetic anhydride 96% · Dichloroacetic anhydride,98% · dichloro-aceticacid-anhydride

https://huagongshe.com/ko/chemical/77772

Acetic acid, 2,2-dichloro-, 1,1'-anhydride 분자 구조식

식별자 및 물리적 특성

CAS No.	4124-30-5
분자식	C4H2Cl4O3
평균 분자량	239.9 g/mol
단동위원소 질량	237.875805 g/mol
SMILES	O=C(OC(=O)C(Cl)Cl)C(Cl)Cl
InChIKey	RQHMQURGSQBBJY-UHFFFAOYSA-N
PubChem CID	77772
EC No.	223-924-8
DTXSID	DTXSID5041011

화학 및 물리적 성질

XLogP	2.6
극성 표면적	43.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	11
형식 전하	0
복잡도	149
Kovats Retention Index	1248
녹는점	~30 °C
끓는 점	214-216 °C (lit.)
밀도	1.574 g/mL at 25 °C (lit.)
굴절률	n20/D 1.483(lit.)
인화점	>230 °F
저장 조건	Store below +30°C.
용해도	Acetonitrile (Soluble), Chloroform (Soluble)
물리적 상태	녹은 후에 액체
색상	무색의
BRN	512173
안정성	수분에 민감한
InChI	1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey	RQHMQURGSQBBJY-UHFFFAOYSA-N
SMILES	ClC(Cl)C(=O)OC(=O)C(Cl)Cl
EPA	Acetic acid, dichloro-, anhydride (4124-30-5)

화학적 성질

clear colorless liquid after melting

안전 및 규제

GHS 분류	DangerH311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, 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.
규제 정보	Dichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 3 (97.5%)Skin Corr. 1B (100%)Acute Tox. 4 (97.5%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	AG6300000
운송 번호(UN)	UN 2923 8/PG 3
관세 코드	29154000
위험 문구(R)	20/21/22-34
위험 표시	C
안전 문구(S)	26-27-28-36/37/39-45
포장분류	II
위험 등급	8Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B
F 고인화성물질	21
위험 참고 사항	Corrosive/Moisture Sensitive

용도

Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.

일반 설명

Dichloroacetic anhydride is an acylating agent and was evaluated for inducing autoimmune responses.