기본 정보
- CAS
360-64-5- 표준 SMILES
NC(=O)c1ccccc1C(F)(F)F- InChIKey
QBAYIBZITZBSFO-UHFFFAOYSA-N- 분자식
- C8H6F3NO
- 평균 분자량
- 189.13 g/mol
- 단동위원소 질량
- 189.04014847
이름 및 식별자
- 우선 이름
- 2-Trifluoromethylbenzamide
- IUPAC
- 2-(trifluoromethyl)benzamide
- 현지명
- 2-(트리플루오로메틸)벤젠아미드
- 영어명
- 2-(Trifluoromethyl)benzamide
- 분자식
- C8H6F3NO
- 분자량
- 189.13
이름 및 동의어
2-(Trifluoromethyl)benzamide360-64-52-TrifluoromethylbenzamideBenzamide, 2-(trifluoromethyl)-o-(Trifluoromethyl)benzamide5U8Y7E6AIOEINECS 206-637-2DTXSID40189560EC 206-637-2RefChem:483835DTXCID00112051206-637-2
이름 더 보기
2-(트리플루오로메틸)벤젠아미드O-(트라이플루오로메틸)벤즈아미드2-(트리플루오로메틸)벤자미드LABOTEST-BB LT00455036o-trifluoromethylbenzoate2-Carbamoylbenzotrifluorideà,à,à-trifluoro-o-toluamide2-Trifluoromethyl benzoamideN-(2-Trifluoromethyl)benzamide
MFCD00014798Fluopyram-benzamide2-(Trifluoromehtyl)benzamideo-trifluoromethyl-benzamideo-TrifluoromethylbenzamideUNII-5U8Y7E6AIO2-trifiuoromethylbenzamide2-(trifluoromethyl) benzamide
데이터베이스 식별자
- CAS
360-64-5- PubChem CID
- 67759
- DTXSID
DTXSID40189560- ChEMBL
CHEMBL4558027- UNII
- 5U8Y7E6AIO
- EC Number
- 206-637-2
- Nikkaji
- J193.863K
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 202
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionLarge Crystals
물리화학적 성질
- 녹는점
- 160 · 160-164 °C (lit.)
- 끓는 점
- 247.3 · 247.3±40.0 °C(Predicted)
- 밀도
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- 증기압
- 3.466 Pa · 3.466Pa at 25℃
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 15.46 · 15.46±0.50(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 13 g/L · 13g/L
- BRN
- 2616148 · 2616148
- InChI
- InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
- InChIKey
- QBAYIBZITZBSFO-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzamide, 2-(trifluoromethyl)-
Regulation (EC) No 1107/2009 (amended)
Benzamide, 2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13262
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2924297099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzamide, 2-(trifluoromethyl)-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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