Trichloroacetic anhydride (HCID 20079)

이름 및 식별자

우선 이름: Trichloroacetic anhydride
IUPAC: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
영어명: TRICHLOROACETIC ANHYDRIDE
분자식: C4Cl6O3
분자량: 308.74

이름 및 동의어

TRICHLOROACETIC ANHYDRIDE4124-31-6DTXSID00871055RefChem:191000DTXCID60818729223-925-3trichloroaceticanhydrideAcetic acid, trichloro-, anhydride(2,2,2-trichloroacetyl) 2,2,2-trichloroacetatetrichloracetic anhydrideMFCD00000793EINECS 223-925-3

이름 더 보기

TCAA2,2,2-trichloroacetic anhydrideTrichloroaceticanhyrideTrichloroaceticAnhydride97%trichloro-aceticacianhydrideTrichloroacetic Anhydride 97%Bis(trichloroacetic)anhydride

Trichloroacetyl 2,2,2-trichloroacetatetrichloroacetic acid anhydrideAcetic acid, 2,2,2-trichloro-, 1,1'-anhydrideAcetic acid, trichloro-, anhydride; Trichloracetic anhydride; Trichloroacetic acid anhydridePerchloroacetic AnhydrideC4Cl6O32,?2,?2-Trichloro-?acetic Acid 1,?1'-?Anhydride; Trichloracetic Anhydride; Trichloroacetic acid anhydrideSCHEMBL150679

데이터베이스 식별자

CAS: 4124-31-6
PubChem CID: 20079
DTXSID: DTXSID00871055
EC Number: 223-925-3
Nikkaji: J150.161E

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 201

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Acid Anhydrides, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 139 · 139-141 °C/60 mmHg (lit.)
밀도: 1.69 g/mL · 1.69 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.484(lit.)
인화점: 98 · 98-100°C/11mm
용해도: 에테르 및 아세트산과 혼합 가능.
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 980355 · 980355
Dielectric constant: 5 · 5.0
안정성: 안정적인. 습기에 민감 - 건조한 환경에 보관하십시오. 강염기, 강산화제와 호환되지 않습니다.
InChI: InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey: MEFKFJOEVLUFAY-UHFFFAOYSA-N
SMILES: O(C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl
EPA: Acetic acid, trichloro-, anhydride (4124-31-6)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationAcetic acid, trichloro-, anhydride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryHydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Pentafluoropropionic anhydride.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 2915907098
risk_code: 22-35
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도Trichloroacetic Anhydride is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.

일반 설명Trichloroacetic anhydride is reported to be an efficient derivatization reagent, since it produces stable derivatives having both a higher mass fragmentation pattern and lesser volatility than derivatives of trifluoroacetic anhydride (TFAA) or heptafluorobutyric anhydride (HFBA). The interaction of thymidine 5′-phosphate with trichloroacetic anhydride in dimethylformamide and acetonitrile in the presence of tertiary amines hs been studied.