3-트리플루오로메틸벤조산 메틸
Methyl 3-(trifluoromethyl)benzoate
기본 정보
- CAS
2557-13-3- 표준 SMILES
COC(=O)c1cccc(C(F)(F)F)c1- InChIKey
QQHNNQCWKYFNAC-UHFFFAOYSA-N- 분자식
- C9H7F3O2
- 평균 분자량
- 204.15 g/mol
- 단동위원소 질량
- 204.03981412
이름 및 식별자
- 우선 이름
- Methyl 3-(trifluoromethyl)benzoate
- IUPAC
- methyl 3-(trifluoromethyl)benzoate
- 현지명
- 3-트리플루오로메틸벤조산 메틸
- 영어명
- Methyl 3-(trifluoromethyl)benzoate
- 분자식
- C9H7F3O2
- 분자량
- 204.15
이름 및 동의어
Methyl 3-(trifluoromethyl)benzoate2557-13-3methyl m-trifluoromethylbenzoateBenzoic acid, 3-(trifluoromethyl)-, methyl esterMethyl, 3-trifluoromethylbenzoateX4KFZ8W2X23-trifluoromethylbenzoic acid methyl esterDTXSID10334282m-Toluic acid, alpha,alpha,alpha-trifluoro-, methyl esterM-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-, METHYL ESTERRefChem:815082DTXCID20285372
이름 더 보기
3-트리플루오로메틸벤조산메틸TrifluoroMethyl benzoateTIMTEC-BB SBB007893RARECHEM AL BF 0072Methyl 3-(trifluoromM-CARBOMETHOXYBENZOTRIFLUORIDEMethyl3-(trifluoromethyl)benzene3-Trifluoromethylbenzoate methylMETHYL M-(TRIFLUOROMETHYL)BENZOATE
457-830-5607-745-6Methyl 3-trifluoromethylbenzoate3-carbomethoxybenzotrifluoridemethyl3-(trifluoromethyl)benzoate3-(Trifluoromethyl)benzoic Acid Methyl Estermethyl-3-(trifluoromethyl)benzoateMFCD00043543
데이터베이스 식별자
- CAS
2557-13-3- PubChem CID
- 520213
- DTXSID
DTXSID10334282- UNII
- X4KFZ8W2X2
- EC Number
- 457-830-5、607-745-6
- Nikkaji
- J461.265E
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 213
실험 및 물리화학적 성질
PFAS
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
물리화학적 성질
- 끓는 점
- 93 · 93-95 °C20 mm Hg(lit.)
- 밀도
- 1.295 g/mL · 1.295 g/mL at 25 °C(lit.)
- 증기압
- 0.002 · 0.002-0.023Pa at 20-50℃
- 굴절률
- 20 · n20/D 1.453(lit.)
- 인화점
- 105 °F · 105 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 1.295 · 1.295
- BRN
- 1963428 · 1963428
- LogP
- 3 at · 3 at 22℃ and pH4-10
- NIST
- 4 · 4-CF3-C6H4-COOCH3(2557-13-3)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (87.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 18-06-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/3231
Hazard Classes and CategoriesFlam. Liq. 3 (87.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 29163990
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- safety_code
- 26-36/37/39-37/39-16
- 포장분류
- III
- 위험 등급
- 3.2
- 위험 참고 사항
- Flammable/Irritant
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 3-(trifluoromethyl)-, methyl ester: ACTIVE
상·하류 제품 정보
하류 제품
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