Acetic acid, 2,2-dichloro-, 1,1'-anhydride (HCID 77772)

이름 및 식별자

우선 이름: Acetic acid, 2,2-dichloro-, 1,1'-anhydride
IUPAC: (2,2-dichloroacetyl) 2,2-dichloroacetate
영어명: DICHLOROACETIC ANHYDRIDE
분자식: C4H2Cl4O3
분자량: 239.87

이름 및 동의어

Dichloroacetic anhydride4124-30-5Acetic acid, dichloro-, anhydrideMB3OGR64INAcetic acid, 2,2-dichloro-, 1,1'-anhydrideNSC-401832DTXSID5041011RefChem:586728DTXCID3021011223-924-8Dichloroacetic acid anhydride(2,2-dichloroacetyl) 2,2-dichloroacetate

이름 더 보기

DICHOLOROACETIC ANHYDRIDEDichloroacetetic anhydridedichloro-aceticacianhydrideBIS(DICHLOROACETIC)ANHYDRIDEDichloroacetic anhydride 96%Dichloroacetic anhydride,98%dichloro-aceticacid-anhydrideanhydridkyselinydichloroctove

Anhydrid kyseliny dichloroctove2,2'-Dichloroacetic anhydrideUNII-MB3OGR64INEINECS 223-924-82,2-Dichloroacetic anhydrideNSC 401832Anhydrid kyseliny dichloroctove [Czech]BRN 0512173

데이터베이스 식별자

CAS: 4124-30-5
PubChem CID: 77772
DTXSID: DTXSID5041011
UNII: MB3OGR64IN
EC Number: 223-924-8
Nikkaji: J1.828G

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

Kovats Retention Index1248

물리화학적 성질

녹는점: 30 °C · ~30 °C
끓는 점: 214 · 214-216 °C (lit.)
밀도: 1.574 g/mL · 1.574 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.483(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: Acetonitrile (Soluble), Chloroform (Soluble)
물리적 상태: 녹은 후에 액체
색상: 무색의
BRN: 512173 · 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

GHS Classification · 5건

Danger

H311 (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.

유해성 정보

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)；Skin Corr. 1B (100%)；Acute Tox. 4 (97.5%)

규제 정보

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AG6300000
ridadr: UN 2923 8/PG 3
HS 번호: 29154000
risk_code: 20/21/22-34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 21
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2,2-dichloro-, 1,1'-anhydride: ACTIVE

응용 분야

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