기본 정보
- 표준 SMILES
CC(C)(SC(=S)c1ccccc1)c1ccccc1- InChIKey
KOBJYYDWSKDEGY-UHFFFAOYSA-N- 분자식
- C16H16S2
- 평균 분자량
- 272.4 g/mol
- 단동위원소 질량
- 272.06934251
이름 및 식별자
- 우선 이름
- Cumyl dithiobenzoate
- IUPAC
- 2-phenylpropan-2-yl benzenecarbodithioate
- 현지명
- 2-페닐-2-프로필벤조디티오에이트
- 영어명
- 2-Phenyl-2-propyl benzodithioate
- 분자식
- C16H16S2
- 분자량
- 272.43
이름 및 동의어
Cumyl dithiobenzoateDTXSID50453981RefChem:128788DTXCID80404800201611-77-02-Phenylpropan-2-yl benzodithioate2-Phenyl-2-propyl benzodithioateBenzenecarbodithioic acid, 1-methyl-1-phenylethyl ester2-PHENYLPROPAN-2-YL BENZENECARBODITHIOATEMFCD182526762-Phenyl-2-propylbenzodithiolate(1-Methyl-1-phenyl-ethyl) benzenecarbodithioate
이름 더 보기
2-페닐-2-프로필벤조디티오에이트2-Phenylpropyl thiobenzoateDithiobenzoic Acid Cumyl Ester1-Methyl-1-phenylethyl Dithiobenzoate2-PHENYL-2-PROPYLBENZODITHIOLATE,MIN.97%2-Phenyl-2-propylbenzodithiolate, Min. 97%
SCHEMBL1640922-Phenylprop-2-yl dithiobenzoate2-Phenylpropan-2-ylbenzodithioateKOBJYYDWSKDEGY-UHFFFAOYSA-NBIA61177AKOS025395415DS-19835SY067098
데이터베이스 식별자
- CAS
201611-77-0- PubChem CID
- 11065602
- DTXSID
DTXSID50453981- EC Number
- 662-646-5
- Nikkaji
- J1.002.580J
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 57.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 271
물리화학적 성질
- 녹는점
- 38 °C · 38 °C
- 끓는 점
- 386.6 · 386.6±35.0 °C(Predicted)
- 밀도
- 1.125 g/mL · 1.125 g/mL at 25 °C
- 인화점
- 104 ℃ · 104℃
- 저장 조건
- 2 · 2-8°C(protect from light)
- 물리적 상태
- 액체
- 색상
- 진한 빨간색-보라색
- InChI
- InChI=1S/C16H16S2/c1-16(2,14-11-7-4-8-12-14)18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
- InChIKey
- KOBJYYDWSKDEGY-UHFFFAOYSA-N
- SMILES
- C1(C(=S)SC(C)(C2=CC=CC=C2)C)=CC=CC=C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 2930.90.2900
- risk_code
- 22-50/53
- hazard_code
- Xn,N
- safety_code
- 60-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도RAFT agent for controlled radical polymerization; especially suited for the polymerization of methacrylates/methacrylamides, and to a lesser extent acrylates/acrylamides and styrenes; Chain Transfer Agent (CTA)
일반 설명Need help choosing the correct RAFT Agent Please consult the RAFT Agent to Monomer compatibility table.
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