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1,2,3,4,5-펜타브로모-6-클로로사이클로헥산

1,2,3,4,5-Pentabromo-6-chlorocyclohexane

HCID 6907
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
87-84-3
표준 SMILES
ClC1C(Br)C(Br)C(Br)C(Br)C1Br
InChIKey
UZOSVZSBPTTWIG-UHFFFAOYSA-N
분자식
C6H6Br5Cl
평균 분자량
513.08 g/mol
단동위원소 질량
507.60749

개요

Pentabromochlorocyclohexane is a white solid. (NTP, 1992)

이름 및 식별자

우선 이름
1,2,3,4,5-Pentabromo-6-chlorocyclohexane
IUPAC
1,2,3,4,5-pentabromo-6-chlorocyclohexane
현지명
1,2,3,4,5-펜타브로모-6-클로로사이클로헥산
영어명
1,2,3,4,5-Pentabromo-6-chlorocyclohexane
분자식
C6H6Br5Cl
분자량
513.08

이름 및 동의어

1,2,3,4,5-PENTABROMO-6-CHLOROCYCLOHEXANEPentabromochlorocyclohexaneChloropentabromocyclohexaneCCRIS 6086HSDB 5254EINECS 201-776-5UNII-9764W0YF98Cyclohexane, 1,2,3,4,5-pentabromo-6-chloro-9764W0YF98FR-651ADTXSID4025828FR-651P
이름 더 보기
1,2,3,4,5-펜타브로모-6-클로로사이클로헥산FR-651A @100 μg/mL in Toluene1,2,3,4-pentabromo-6-chlorocyclohexane1,2,3,4,5-pentabromo-6-chloro-cyclohexan1-chloro-2,3,4,5,6-pentabromo-cyclohexan1,2,3,4,5-pentabromo-6-chlorocyclohexane.1,2,3,4,5-Pentabromo-6-chlorocyclohexane Discontinued
CHLOROPENTABROMOCYCLOHEXANE [HSDB]RefChem:71258DTXCID905828FR 651AFR 651PCyclohexane, 1,2,3,4,5pentabromo6chloroCyclohexane, 1chloro2,3,4,5,6pentabromoCYCLOHEXANE,1,2,3,4,5-PENTABROMO-6-CHLORO-

데이터베이스 식별자

CAS
87-84-3

물성

구조 계산 물성

XLogP
4.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
12
형식 전하
0
복잡도
150

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point374 to 388 °F (NTP, 1992)
Vapor Pressure0.00000346 [mmHg]
Physical Description · 2건

Pentabromochlorocyclohexane is a white solid. (NTP, 1992)

White solid; [CAMEO]

물리화학적 성질

끓는 점
34.6 °C · 34.6°C (rough estimate)
밀도
5.2412 · 5.2412 (rough estimate)
굴절률
1.51 · 1.5100 (estimate)
Henry's Law Constant
1 · 1.0×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA
1 · 1,2,3,4,5-Pentabromo-6-chlorocyclohexane (87-84-3)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 2건

Chemical: Cyclohexane, 1,2,3,4,5-pentabromo-6-chloro-

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably nonflammable. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards Summary · 1건

Effects in two year feeding study with rats include decreased body weight, increased bromine levels in tissue, and histopathological changes to colon; No other significant adverse findings in mortality, clinical, hematologic, or urinary chemistry, necropsy, or histopathology; [HSDB] Effects in high-dose animal studies include colon tumors, changes in liver and bladder weight, impaired liver function, and changes in tubules and glomeruli; [RTECS]

Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1건

Halogenated aliphatic compounds, such as PENTABROMOCHLOROCYCLOHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsInsoluble in water.

안전 및 보호

화학 및 산업

용도 및 제조

UsesUsed as additive flame retardant in polystyrene foams; [NTP]
General Manufacturing InformationCyclohexane, 1,2,3,4,5-pentabromo-6-chloro-: ACTIVE

응용 분야

용도1,2,3,4,5-Pentabromo-6-chlorocyclohexane is a fireproofing agent. A halogenated flame retardant.

일반 설명White solid.

상·하류 제품 정보

상류 원료

벤젠염소(기체)

공급사4 곳

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
6907
DTXSID
DTXSID4025828
UNII
9764W0YF98
EC Number
201-776-5
Nikkaji
J147.407C
Fire Fighting
Fires involving this compound may be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

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)

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
TSCA Test Submissions · 2건

Chronic toxicity and oncogenicity were evaluated in Fischer 344 rats (86/sex/control group, 50/sex/treated group) orally exposed to 1,2,3,4,5-pentabromo - 6-chlorocyclohexane (PBCC) in the diet for 2 years at 0, 1, 20 and 70 mg/kg/day for females and at 0, 1, 15 and 50 mg/kg/day for males based on the differential toxicity of PBCC to males and females in previous studies. There were significant differences between treated animals and controls in the following: body weights (decreased for both sexes at high-dose levels), and tissue bromine level (increased to plateau at mid- and high-dose levels in liver, fat and serum in approximately equal concentrations). There were significant increases observed in the necropsy histopathology of the colon of high-dose animals of both sexes: hemorrhage, fluid ingesta and mass or polyp formations; polyploid formations, dilatation, hypercellularity and aggregates of cellular debris in intestinal crypts, and primary polyploid adenoma or carcinoma. There were no significant differences between treated animals and controls in the following: palpable masses, mortality, clinical chemistry, hematology, urinalysis, organ weights, or necropsy and histopathology (except for that of the colon).

The distribution of alpha-1,2,3,4,5-pentabromo - 6-chlorocyclohexane (PBCC) as measured by the total bromine content in adipose, liver and kidney tissues was evaluated in male and female CDF Fischer 344 rats (10/sex/group) fed PBCC at concentrations of 0 or 600 mg/kg/day in Purina Laboratory Chow for 91 days. Statistically significant increases in bromine levels were observed in all analyzed tissues of all treated animals (P < 0.05, Dunnett's test) relative to control animals. The bromine levels (ug/g) in the adipose, liver and kidney tissues of male animals (treated/control) were: 93/2.3, 413/3.9 and 810/7.7, respectively; and of female animals: 117/2.4, 429/5.9 and 750/9.4, respectively. The total bromine in these tissues accounted for approximately 2% of the PBCC ingested during the 13 week exposure period. The biological half-life could not be determined from the data obtained from the tests.

RAIS Toxicity Values · 6건

0.02

SCREEN Current

0.02

PPRTV Current

0.02

SCREEN Current

EPA Provisional Peer-Reviewed Toxicity Values · 4건

1,2,3,4,5Pentabromo-6-Chlorocyclohexane

PDF Document

Suggestive evidence of carcinogenic potential

2016

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

2.70e+01

1.10e+02

2.80e+00

2.00e+02

1.60e-02

2.00e-02

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

2.70e+03

1.10e+04

2.80e+02

2.00e+02

2.00e-02

2.00e-02

안전 데이터

tsca
TSCA listed
유해 물질 데이터
87-84-3(Hazardous Substances Data)