기본 정보
- 표준 SMILES
C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
LSEFCHWGJNHZNT-UHFFFAOYSA-M- 분자식
- C19H18P.Br
- 평균 분자량
- 357.2 g/mol
- 단동위원소 질량
- 356.03294931
이름 및 식별자
- 우선 이름
- Methyltriphenyliphosphonium bromide
- IUPAC
- methyl(triphenyl)phosphanium bromide
- 현지명
- 메틸트리페닐포스포늄브로마이드
- 영어명
- Methyltriphenylphosphonium bromide
- 분자식
- C19H18P.Br
- 분자량
- 357.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1779-49-3- PubChem CID
- 74505
- DTXSID
DTXSID30883580- ChEMBL
CHEMBL54469- UNII
- LW2UZ3E9EG
- EC Number
- 217-218-9
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 235
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 230 · 230-234 °C (lit.)
- 증기압
- 2e-7 hPa · 0.0000002 hPa
- 인화점
- 240 °C · >240°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O: · H2O: 0.1 g/mL, 투명
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수소이온지수(pH)
- 6 · 6.0-6.5 (400g/l, H2O, 20℃)
- 수용성
- 400 g/L · 400g/L(25℃)
- BRN
- 3599467 · 3599467
- InChI
- 1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
- InChIKey
- LSEFCHWGJNHZNT-UHFFFAOYSA-M
- SMILES
- [Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
- LogP
- -1.18 · -1.18
- NIST
- Methyltriphenylphosphonium bromide(1779-49-3)
- EPA
- Phosphonium, methyltriphenyl-, bromide (1779-49-3)
화학적 성질
white powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.7% (6 of 78) of reports.
Danger
H300 (21.8%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phosphonium, methyltriphenyl-, bromide
Status: Active Update: 16-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6999
Phosphonium, methyltriphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1390 4.3/PG 2
- 독성
- LD50 orally in Rabbit: 118 mg/kg
- HS 번호
- 29310095
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 36/37-36-26
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-25395
- 자연 발화 온도
- 410 °C
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2
- 스토리지 클래스
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
화학 및 산업
용도 및 제조
응용 분야
용도Wittig 반응에 널리 사용됩니다.
용도Methyltriphenylphosphonium Bromide is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.
일반 설명Methyltriphenylphosphoniumbromide is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis.Mettler-Toledo calibration substance ME 30130598, methyltriphenylphosphoniumbromide is ideal for use in the regular calibration of Mettler-Toledo melting point instrument. Its value is a mean of 6 to 12 iterations with a Mettler-Toledo MP70 Excellence instrument that is calibrated against primary standards. The melting point is validated by Capillary method according to European Pharmacopeia (2.2.14.)
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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