요오드벤조트리플로라이드(2-)

Benzene, 1-iodo-2-(trifluoromethyl)-

HCID 67957CAS 444-29-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1ccccc1I
InChIKey: IGZGUYVVBABKOY-UHFFFAOYSA-N
분자식: C7H4F3I
평균 분자량: 272.01 g/mol
단동위원소 질량: 271.93098279

이름 및 식별자

우선 이름: Benzene, 1-iodo-2-(trifluoromethyl)-
IUPAC: 1-iodo-2-(trifluoromethyl)benzene
현지명: 요오드벤조트리플로라이드(2-)
영어명: 2-Iodobenzotrifluoride
분자식: C7H4F3I
분자량: 272.01

이름 및 동의어

444-29-11-Iodo-2-(trifluoromethyl)benzeneo-TrifluoromethyliodobenzeneBenzene, 1-iodo-2-(trifluoromethyl)-NSC 88291EINECS 207-147-1Toluene, alpha,alpha,alpha-trifluoro-o-iodo-RefChem:562490InChI=1/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-42-Iodobenzotrifluorideo-IodobenzotrifluorideMFCD00001041

이름 더 보기

요오드벤조트리플로라이드(2-)2-아이오도벤조트라이플루오라이드2-요오도벤조트리플루오라이드2-IodobenzotrifL2-Iodobenztrifluorideo-iodotrifluorotolueneO-IODINE TRIFLUORO TOLUENE2-Iodobenzotrifluoride,99%2-IODOBENZOTRIFLUORIDE 99%

iodobenzotrifluorideNSC-882912-Iodo-a,a,a-trifluorotoluene2-Iodo-alpha,alpha,alpha-trifluorotoluene2-(TRIFLUOROMETHYL)IODOBENZENEalpha,alpha,alpha-Trifluoro-2-iodotoluene1-iodo-2-trifluoromethylbenzeneNSC88291

데이터베이스 식별자

CAS: 444-29-1
PubChem CID: 67957
DTXSID: DTXSID6059998
UNII: 3E96JVT6QZ
EC Number: 207-147-1
Nikkaji: J196.133K

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 197 · 197-198 °C750 mm Hg(lit.)
밀도: 1.939 g/mL · 1.939 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.531(lit.)
인화점: 178 °F · 178 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.939 · 1.939
색상: 맑은 연한 노란색
수용성: 불용성
BRN: 2090038 · 2090038
NIST: 1 · Benzene, 1-iodo-2-(trifluoromethyl)-(444-29-1)
EPA: 2 · 2-Iodobenzotrifluoride (444-29-1)

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (85.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (85.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29039990
risk_code: 34-36/37/38
hazard_code: C,T,Xi
safety_code: 26-27-36/37/39-45-37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic/Irritant

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-iodo-2-(trifluoromethyl)-: ACTIVE

응용 분야 · 1건

용도2-Iodobenzotrifluoride acts as a reagent in the preparation, cyclooxygenase-1 inhibitory activity, and docking studies of aminoalkoxyphenylbenzamides. Prepartion and SAR of tricyclic 4,4-dimethyl-3,4-dihydrochromeno[3,4-d]imidazole derivatives as microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors.