기본 정보
- CAS
1522-92-5- 표준 SMILES
OCC(CBr)(CBr)CBr- InChIKey
QEJPOEGPNIVDMK-UHFFFAOYSA-N- 분자식
- C5H9Br3O
- 평균 분자량
- 324.84 g/mol
- 단동위원소 질량
- 321.82035121
개요
3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Pentaerythritol tribromide
- IUPAC
- 3-bromo-2,2-bis(bromomethyl)propan-1-ol
- 현지명
- 3-브로모-2,2-비스(브로모메틸)프로판올
- 영어명
- 3-Bromo-2,2-bis(bromomethyl)propanol
- 분자식
- C5H9Br3O
- 분자량
- 324.84
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1522-92-5、36483-57-5- PubChem CID
- 15206
- DTXSID
DTXSID9024641- ChEMBL
CHEMBL1497987- UNII
- 8HZ2FQ3KUC
- EC Number
- 622-370-8
- Nikkaji
- J111.581B
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 64.3
실험 및 물리화학적 성질
Physical Description
3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992)
Liquid; CBI; Dry Powder
물리화학적 성질
- 녹는점
- 64 · 64-66°C
- 끓는 점
- 131 °C · 131 °C / 2.5mmHg
- 밀도
- 2.192 · 2.192±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.73 · 13.73±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 불용성(21.5&C에서 <0.1g/100mL)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
- InChIKey
- QEJPOEGPNIVDMK-UHFFFAOYSA-N
- SMILES
- C(O)C(CBr)(CBr)CBr
- EPA
- 3 · 3-Bromo-2,2-bis(bromomethyl)propanol (1522-92-5)
화학적 성질
white solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Hazard Traits - Hazard Trait Undefined
1-Propanol, 2,2-dimethyl-, tribromo deriv. is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2,2-dimethyl-, tribromo deriv. 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)
1-Propanol, 2,2-dimethyl-, tribromo deriv.: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
A brominated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Hazard Classes and Categories
Eye Irrit. 2A (97.7%)
Serious eye damage/eye irritation - Category 1
Serious eye damage/eye irritation - Category 1
Carc. 1B
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- rtecs
- UA7410000
- HS 번호
- 2905599890
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Material and Resin Manufacturing
1-Propanol, 2,2-dimethyl-, tribromo deriv.: ACTIVE
응용 분야
용도Tribromoneopentanol is an brominated flame retardant, previously shown to be a multisite carcinogen in experimental animals.
일반 설명White solid.
상·하류 제품 정보
하류 제품
공급사100 곳
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