기본 정보
- 표준 SMILES
O=C1c2ccccc2C(=O)N1CBr- InChIKey
UUSLLECLCKTJQF-UHFFFAOYSA-N- 분자식
- C9H6BrNO2
- 평균 분자량
- 240.05 g/mol
- 단동위원소 질량
- 238.95819053
이름 및 식별자
- 우선 이름
- 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-
- IUPAC
- 2-(bromomethyl)isoindole-1,3-dione
- 영어명
- N-(Bromomethyl)phthalimide
- 분자식
- C9H6BrNO2
- 분자량
- 240.05
이름 및 동의어
N-(Bromomethyl)phthalimide5332-26-32-(Bromomethyl)isoindoline-1,3-dionePhthalimidomethyl bromidePhthalimide, N-(bromomethyl)-1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-WDG35UDX67NSC 3997NSC-3997EINECS 226-239-2AI3-28934DTXSID0063789
이름 더 보기
2-HydroxypiperazineN-(BROMOMETHYL)PHTALIMIDEN-PHTHALIMIDOMETHYL BROMIDEN-(Bromomethyl)phthalimide>N-(Bromomethyl)phthalimide,97%
2-(BROMOMETHYL)PHTHALIMIDE2-BROMOMETHYLISOINDOLE-1,3-DIONERefChem:438814DTXCID3041401226-239-22-(bromomethyl)isoindole-1,3-dioneN-BROMOMETHYLPHTHALIMIDEMFCD00005897
데이터베이스 식별자
- CAS
5332-26-3- PubChem CID
- 79244
- DTXSID
DTXSID0063789- UNII
- WDG35UDX67
- EC Number
- 226-239-2
- Nikkaji
- J265.544F
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 37.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 230
물리화학적 성질
- 녹는점
- 152 · 152-155 °C(lit.)
- 끓는 점
- 318.9 · 318.9±25.0 °C(Predicted)
- 밀도
- 1.6838 · 1.6838 (rough estimate)
- 굴절률
- 1.612 · 1.6120 (estimate)
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 산도 계수 (pKa)
- -2.72 · -2.72±0.20(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에서 분해되다
- BRN
- 140943 · 140943
- InChI
- 1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
- InChIKey
- UUSLLECLCKTJQF-UHFFFAOYSA-N
- SMILES
- BrCN1C(=O)c2ccccc2C1=O
- NIST
- N-bromomethylphthalimide(5332-26-3)
- EPA
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)- (5332-26-3)
화학적 성질
white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29251995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- F 고인화성물질
- 8-10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: INACTIVE
응용 분야
용도N-(Bromomethyl)phthalimide was used as initiator in synthesis of α-phthalimidopoly(styrene) by atom transfer radical polymerisation. It was also used in synthesis of functionalized 5-(aminomethyl)pyrimidine-2,4,6-trione analog and new bis-C(cage)-substituted o-carborane.
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