N-3-Bromopropylphthalimide (HCID 21611)

이름 및 식별자

우선 이름: N-3-Bromopropylphthalimide
IUPAC: 2-(3-bromopropyl)isoindole-1,3-dione
영어명: N-(3-BROMOPROPYL)PHTHALIMIDE
분자식: C11H10BrNO2
분자량: 268.11

이름 및 동의어

N-(3-BROMOPROPYL)PHTHALIMIDE5460-29-7N-3-Bromopropylphthalimide3-Bromopropylphthalimide1-Phthalimido-3-bromopropanegamma-BromopropylphthalimidePhthalimide, N-(3-bromopropyl)-1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-VQG2G776PSNSC 24937EINECS 226-738-5NSC 25170

이름 더 보기

2-(3-BROMO-PROPYL)-ISOINDOLE-1,3-DIONE2-(3-BroMopropyl)isoindoline-1.3-dioneAKOS 226-47AURORA KA-570TIMTEC-BB SBB003049LABOTEST-BB LT00455358(3-bromopropyl)phthalimideN-(3-Bromopropyl)phthahmideN-(3-bromopropyl)pthalimide

NSC-24937NSC-25170DTXSID40203033RefChem:828788DTXCID40125524Phthalimide, N-(3-bromopropyl)-(8CI)1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-(9CI)226-738-5

데이터베이스 식별자

CAS: 5460-29-7
PubChem CID: 21611
DTXSID: DTXSID40203033
UNII: VQG2G776PS
EC Number: 226-738-5
Nikkaji: J37.060F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 72 · 72-74 °C(lit.)
끓는 점: 361 ℃ · 361℃
밀도: 1.578 · 1.578
굴절률: 1.632 · 1.6320 (estimate)
인화점: 172 ℃ · 172℃
저장 조건: Inert atmosphere,Room Temperature
용해도: 1 g/L · <1g/L
물리적 상태: 결정질 분말 또는 결정
산도 계수 (pKa): -2.21 · -2.21±0.20(Predicted)
색상: 흰색~밝은 베이지
BRN: 157547 · 157547
InChI: InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKey: VKJCJJYNVIYVQR-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCCBr

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.；There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；STOT SE 3 (50%)

규제 정보

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.