2,2-비스(브로모메틸)-1,3-프로판디올

2,2-비스(브로모메틸)-1,3-프로판디올 · 2,2-비스(브로모메틸)-1,3-프로판디올(2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL... · 2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL · DIBROMONEOPENTYL GLYCOL · Pentaerythritol dibromide · DBNPG · Fr 522 · fr1138

https://huagongshe.com/ko/chemical/18692

식별자 및 물리적 특성

CAS No.	3296-90-0
분자식	C5H10Br2O2
평균 분자량	261.94 g/mol
단동위원소 질량	259.90475 g/mol
SMILES	OCC(CO)(CBr)CBr
InChIKey	CHUGKEQJSLOLHL-UHFFFAOYSA-N
PubChem CID	18692
ChEMBL	CHEMBL1407005
ChEBI	CHEBI:82294
EC No.	221-967-7
DTXSID	DTXSID9020164
현지명	2,2-비스(브로모메틸)-1,3-프로판디올

화학 및 물리적 성질

XLogP	0.5
극성 표면적	40.5
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	9
형식 전하	0
복잡도	67
밀도	2.2 (NTP, 1992) - Denser than waterwill sink1.8049 (rough estimate)
Color/Form	Needles from benzene
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)In water, 38 g/L at 25 °C클로로포름(약간 용해됨, 가열), 메탄올(약간 용해됨, 가열)
끓는 점	455 °F at 760 mmHg (decomposes) (NTP, 1992)235°C (rough estimate)
Decomposition	When heated to decomposition it emits toxic fumes of /Bromine/.
녹는점	228 to 230 °F (NTP, 1992)113 °C112-114 °C(lit.)
증기압	0.000013 [mmHg]10 mm Hg ( 178 °C)
Physical Description	2,2-bis(bromomethyl)-1,3-propanediol is an off-white powder. (NTP, 1992)Dry PowderCBIOff-white hygroscopic solid[CAMEO]
Kovats Retention Index	1547.61563.9
Other Experimental Properties	61% bromine contentmp =109 °C /Commercial product/
굴절률	1.5120 (estimate)
저장 조건	Inert atmosphere,Room Temperature
pKa(산도 계수)	13.57±0.10(Predicted)
물리적 상태	고체
색상	흰색에서 황백색까지
용해도	19.4g/L at 20℃
헨리 상수	2.4×103 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKey	CHUGKEQJSLOLHL-UHFFFAOYSA-N
SMILES	OCC(CO)(CBr)CBr
LogP(분배 계수)	1.08
NIST	1,3-Propanediol, 2,2-bis(bromomethyl)(3296-90-0)
EPA	2,2-Bis(bromomethyl)-1,3-propanediol (3296-90-0)

화학적 성질

Solid

안전 및 규제

GHS 분류	DangerH340: May cause genetic defects [Danger Germ cell mutagenicity]H350: May cause cancer [Danger Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.1% (1 of 764) of reports.
규제 정보	Chemical: 1,3-Propanediol, 2,2-bis(bromomethyl)-Hazard Traits - CarcinogenicityGenotoxicityAuthoritative List - CECBP - Priority ChemicalsEC Annex VI CMRs - Cat. 1BIARC Carcinogens - 2BNTP RoC - reasonableProp 65Report - regardless of intended function of ingredient in the productRegulation (EC) No 178/2002 (amended)1,3-Propanediol, 2,2-bis(bromomethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2,2-bis(bromomethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20506Substance: 2,2-bis(bromomethyl)propane-1,3-diol (BMP)EC: 221-967-7Date of inclusion: >08-Jul-2021Reason for inclusion: Carcinogenic (Article 57a)
기타 안전 정보	IMAP assessments - 1,3-Propanediol, 2,2-bis(bromomethyl)-: Environment tier I assessmentIMAP assessments - 1,3-Propanediol, 2,2-bis(bromomethyl)-: Human health tier II assessment
화재 위험	Literature sources indicate that this compound is nonflammable. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include eye and skin irritation and possible liver damage. It may also cause corneal injury which may be sufficient to cause possible impairment of vision. Consumption of alcohol before or after handling this chemical may enhance the toxic effects.ACUTE/CHRONIC HAZARDS: This compound is irritating to the eyes, skin and mucous membranes upon prolonged exposure. When heated to decomposition it emits toxic fumes of bromide ion. (NTP, 1992)

용도

일반 설명

Off-white powder.