Methyl trifluoromethyl ketone (HCID 9871)

이름 및 식별자

우선 이름: Methyl trifluoromethyl ketone
IUPAC: 1,1,1-trifluoropropan-2-one
현지명: 1,1,1-트리플루오로아세톤
영어명: 1,1,1-Trifluoroacetone
분자식: C3H3F3O
분자량: 112.05

이름 및 동의어

1,1,1-TRIFLUOROACETONE421-50-11,1,1-Trifluoro-2-propanoneMethyl trifluoromethyl ketone2-Propanone, 1,1,1-trifluoro-Trifluoromethyl methyl ketone3,3,3-TrifluoroacetoneK987U5C2CXEINECS 207-005-9NSC 66412NSC-664121,1,1Trifluoroacetone

이름 더 보기

1,1,1-트리플루오로아세톤CH3COCF31,1,1-trifluoro-propan-2-one1,1,1-TrifLuoroacetoneTrilfuoroacetone1,1,1-Trifluoroaceto

3,3,3TrifluoroacetoneRefChem:8181101,1,1Trifluoro2propanone207-005-9InChI=1/C3H3F3O/c1-2(7)3(4,5)6/h1H1,1,1-trifluoropropan-2-oneTrifluoroacetoneMFCD00000423

데이터베이스 식별자

CAS: 421-50-1
PubChem CID: 9871
DTXSID: DTXSID9059963
UNII: K987U5C2CX
EC Number: 207-005-9
Nikkaji: J48E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 82.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Ketones

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure728.0 [mmHg]

Physical DescriptionClear colorless liquid; bp = 22 deg C; [Aldrich MSDS]

물리화학적 성질

녹는점: -78 °C · -78 °C
끓는 점: 22 °C · 22 °C(lit.)
밀도: 1.252 g/mL · 1.252 g/mL at 25 °C(lit.)
증기압: 13.62 psi · 13.62 psi ( 20 °C)
굴절률: 20 · n20/D 1.3(lit.)
인화점: 23 °F · −23 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
색상: 무색의
수용성: 혼용 가능
BRN: 1748614 · 1748614
Henry's Law Constant: 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
안정성: 휘발성 물질
InChI: 1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
InChIKey: FHUDAMLDXFJHJE-UHFFFAOYSA-N
SMILES: CC(=O)C(F)(F)F
NIST: 2 · 2-Propanone, 1,1,1-trifluoro-(421-50-1)
EPA: 2 · 2-Propanone, 1,1,1-trifluoro- (421-50-1)

화학적 성질

1,1,1-Trifluoroacetone is CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 04-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24736

1,1,1-Trifluoroacetone: HSNO Approval: HSR006891 Approved with controls

Hazards SummaryA skin and strong eye irritant; A lachrymator; [Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 1 (100%)

독성 정보

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 1
HS 번호: 29147090
risk_code: 12-36/37/38
hazard_code: F+,Xi,F
safety_code: 16-26-29-33-36-7/9-9-37/39-39
포장분류: I
위험 등급: 3
F 고인화성물질: 19
위험 참고 사항: Flammable/Lachrymatory
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 1Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propanone, 1,1,1-trifluoro-: ACTIVE

응용 분야

용도1,1,1-Trifluoroacetone is used as intermediate of bioactive substance and antihypertensive drug, and as effective synthetic building block and trifluoromethyl reaction reagent.

상·하류 제품 정보

하류 제품

4-아미노-2-(트리플루오로메틸)퀴놀린 2-메틸-4-트리플루오로메틸-니코틴산 3-Thiophenecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester 2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 트리플루오로메틸글리옥살-비스(구아닐히드라존)2-(트리플루오로메틸)퀴놀린-4-카발데하이드 Butanoic acid, 4,4,4-trifluoro-2,3-dihydroxy-3-methyl-헥사플로로아세틸아세톤 에틸3-히드록시-3-메틸-4,4,4-트리플루오로부티레이트 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, methyl ester 1,1,1-trifluoro-4-morpholin-4-yl-3-(morpholin-4-ylmethyl)butane-2,2-di ol 1,1,1,5,5,6,6,6-옥타플루오로-2,4-헥산디온

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

연결된 노트

불러오는 중…

1,1,1-트리플루오로아세톤

기본 정보