2-2-디메틸-4,4,4-트리플루오로부탄산

4,4,4-Trifluoro-2,2-dimethylbutanoic acid

HCID 10057937

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 939399-07-2
표준 SMILES: CC(C)(CC(F)(F)F)C(=O)O
InChIKey: GCPLLNZGWOPZLF-UHFFFAOYSA-N
분자식: C6H9F3O2
평균 분자량: 170.13 g/mol
단동위원소 질량: 170.05546401

이름 및 식별자

우선 이름: 4,4,4-Trifluoro-2,2-dimethylbutanoic acid
IUPAC: 4,4,4-trifluoro-2,2-dimethylbutanoic acid
현지명: 2-2-디메틸-4,4,4-트리플루오로부탄산
영어명: 2-2-Dimethyl-4,4,4-trifluorobutanoic acid
분자식: C6H9F3O2
분자량: 170.13

이름 및 동의어

939399-07-24,4,4-trifluoro-2,2-dimethylbutanoic acidDTXSID80434829RefChem:506934DTXCID30385655689-324-72-2-DIMETHYL-4,4,4-TRIFLUOROBUTANOIC ACID2,2-Dimethyl-4,4,4-trifluorobutanoic acid4,4,4-trifluoro-2,2-dimethylbutyric acidMFCD099980702,2-Dimethyl-4,4,4-trifluorobutyric acidSCHEMBL760939

이름 더 보기

2-2-디메틸-4,4,4-트리플루오로부탄산Butanoic acid, 4,4,4-trifluoro-2,2-dimethyl-2,2-Dimethyl-4,4,4-trifluorobutanoic acid 95%

PMB39907SBB088371AKOS017390804AT15949SY0449582,2-Dimethyl-4,4,4-trifluorobutanoicacidCS-0211688EN300-298972

데이터베이스 식별자

CAS: 939399-07-2
PubChem CID: 10057937
DTXSID: DTXSID80434829
EC Number: 689-324-7

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 175.6 · 175.6±35.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.22 · 4.22±0.10(Predicted)
물리적 상태: 고체
색상: Low-melting

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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.