1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-

2-(Bromomethyl)isoindoline-1,3-dione · 2-(Bromomethyl)isoindole-1,3-dione · 2-Hydroxypiperazine · PHTHALIMIDOMETHYL BROMIDE · N-(BROMOMETHYL)PHTALIMIDE · N-(BROMOMETHYL)PHTHALIMIDE · N-PHTHALIMIDOMETHYL BROMIDE · Phthalimide, N-(bromomethyl)-

https://huagongshe.com/ko/chemical/79244

1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)- 분자 구조식

식별자 및 물리적 특성

CAS No.	5332-26-3
분자식	C9H6BrNO2
평균 분자량	240.05 g/mol
단동위원소 질량	238.95819053 g/mol
SMILES	O=C1c2ccccc2C(=O)N1CBr
InChIKey	UUSLLECLCKTJQF-UHFFFAOYSA-N
PubChem CID	79244
EC No.	226-239-2
DTXSID	DTXSID0063789

화학 및 물리적 성질

XLogP	2.3
극성 표면적	37.4
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	230
녹는점	152-155 °C(lit.)
끓는 점	318.9±25.0 °C(Predicted)
밀도	1.6838 (rough estimate)
굴절률	1.6120 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pKa(산도 계수)	-2.72±0.20(Predicted)
물리적 상태	결정성 분말
색상	흰색에서 황백색까지
용해도	물에서 분해되다
BRN	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	1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)- (5332-26-3)

화학적 성질

white powder

안전 및 규제

GHS 분류	WarningH315 (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.
규제 정보	1H-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 Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29251995
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36-37/39
F 고인화성물질	8-10-21
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

N-(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.