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테트라브로모프탈 무수물

Tetrabromophthalic anhydride

HCID 12443
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
632-79-1
표준 SMILES
O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21
InChIKey
QHWKHLYUUZGSCW-UHFFFAOYSA-N
분자식
C8Br4O3
평균 분자량
463.7 g/mol
단동위원소 질량
459.65809226

개요

Tetrabromophthalic anhydride is a pale yellow crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름
Tetrabromophthalic anhydride
IUPAC
4,5,6,7-tetrabromo-2-benzofuran-1,3-dione
현지명
테트라브로모프탈 무수물
영어명
Tetrabromophthalic anhydride
분자식
C8Br4O3
분자량
463.7

이름 및 동의어

Tetrabromophthalic anhydride632-79-1BromphthalFireMaster PHT 4BromophthalTetrabromophthalic acid anhydride1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-Phthalic anhydride, tetrabromo-3,4,5,6-TETRABROMOPHTHALIC ANHYDRIDESaytex RB 49PHT 4FG 4000
이름 더 보기
테트라브로모프탈무수물테트라브로모프탈무수물4,5,6,7-Tetrabromoisobenzofuran-1,3-dionepht4fg400fg4000NSC 4874SAYTEX RB-49
Q8E543QKMKPhthalic acid, tetrabromo-, anhydrideDion 6692NSC-4874FG 400RefChem:188397PHTHALIC ACID, TETRABROMO, ANHYDRIDE211-185-4

데이터베이스 식별자

CAS
632-79-1
PubChem CID
12443
DTXSID
DTXSID6026084
ChEMBL
CHEMBL1406645
ChEBI
CHEBI:189155
UNII
Q8E543QKMK
EC Number
211-185-4
Nikkaji
J844C

물성

구조 계산 물성보충 중

XLogP
4.1
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
15
형식 전하
0
복잡도
291

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesAngular frequency
Color/Form · 2건

NEEDLES FROM ACETIC ACID-XYLENE

Pale yellow crystalline solid

Solubility · 3건

Insoluble (NTP, 1992)

INSOL IN WATER, ALC; SLIGHTLY SOL IN BENZENE; SLIGHTLY SOL IN ORG SOLVENTS; SOL IN NITROBENZENE

Insoluble in alcohol. Slightly soluble in ketone, chlorinated and aromatic solvents.

Melting Point · 2건

535.1 to 536.9 °F (NTP, 1992)

279.5-280.5 °C

Vapor Pressure0.00000057 [mmHg]
Physical Description · 3건

Tetrabromophthalic anhydride is a pale yellow crystalline solid. (NTP, 1992)

Dry Powder; CBI

Pale yellow solid; [HSDB] Powder; [MSDSonline]

Other Experimental Properties68% bromine content; specific gravity=2.87; MP=270 °C /commercial product/

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 77.5% (441 of 569) of all reports.

Warning

H317 (21.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 569 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-

Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary System; Neurotoxicity

1,3-Isobenzofurandione, 4,5,6,7-tetrabromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, 4,5,6,7-tetrabromo- 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: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2076

1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include coughing, sneezing, respiratory system irritation, dermatitis and eye irritation.
Hazards Summary · 1건

A mutagen and mild eye irritant; Causes change in lung weight on inhalation studies of rats; [RTECS] No evidence of mutagenicity in several tests using bacteria and rat liver; [HSDB] An eye and respiratory tract irritant; [CAMEO] See ACID ANHYDRIDES.

Reactive Group

화학 및 산업

용도 및 제조

Uses · 6건

Used as a reactive flame retardant (unsaturated polyester and epoxy resins, plastics, paper, and textiles) and chemical intermediate for other flame retardants; [HSDB] Also use to make sulfobromophthalein (liver function diagnostic aid); [Reference #1]

Pulp and Paper Processing [Category: Industry]

Flame retardant for plastics, paper, and textiles.

Used as a chemical intermediate for the synthesis of ethylene bis(tetrabromophthalimide); tetrabromophthalate diol

Fire-retarded unsaturated polyester resin comonomer

3,4,5,6-Tetrabromophthalic anhydride is primarily employed as a reactive flame retardant in unsaturated polyester and epoxy resin formulations. It is also used as an intermediate in the manufacture of other flame retardants, such as diallyl tetrabromophthalate and tetrabromophthalate polyol esters.

U.S. Imports(1979) 2.61X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production · 3건

2023: 10,000,000 - <25,000,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 6.81X10+6 GRAMS

Consumption PatternsESSENTIALLY 100% AS A REACTIVE FLAME RETARDANT
Consumer UsesFlame retardant
Industry UsesIntermediate
Methods of Manufacturing · 1건

3,4,5,6-Tetrabromophthalic anhydride can be prepared by reacting phthalic anhydride and bromine in a mixture of concentrated sulfuric acid and 70% hydrogen peroxide in the presence of catalytic amounts of iodine or in chlorosulfonic acid containing a small amount of sulfur.

General Manufacturing Information · 2건

Construction

1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-: ACTIVE

관련 반응

23건
반응 기록 만들기
HRID 26365 반응식
HRID 26365반응물로uspto-grants-1979_04
HRID 200425 반응식
HRID 200425반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 213821 반응식
HRID 213821반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 236389 반응식
HRID 236389반응물로uspto-grants-1987_02
HRID 326341 반응식
HRID 326341반응물로uspto-grants-1993_12
HRID 326342 반응식
HRID 326342반응물로uspto-grants-1993_12
HRID 354598 반응식
HRID 354598반응물로uspto-grants-1983_03
HRID 485090 반응식
HRID 485090반응물로uspto-grants-1985_08
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물리화학적 성질

녹는점
269 · 269-271 °C (lit.)
끓는 점
540.5 · 540.5±50.0 °C(Predicted)
밀도
2.87 · 2.87
증기압
0.11 mm · 0.11 mm Hg ( 180 °C)
굴절률
1.5 · 1.5000 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파 처리), 메탄올(약간 용해됨, 가열,
물리적 상태
가루
색상
흰색에서 밝은 노란색
수용성
가수 분해
BRN
18908 · 18908
Henry's Law Constant
6.1 · 6.1×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성
수분에 민감한
InChI
1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey
QHWKHLYUUZGSCW-UHFFFAOYSA-N
SMILES
Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br
LogP
2.27 at · 2.27 at 40℃
NIST
Phthalic anhydride, tetrabromo-(632-79-1)
EPA
Tetrabromophthalic anhydride (632-79-1)

화학적 성질

white to light yellow powder

Anhydrides
TSCA Requirements · 2건

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Tetrabromophthalic anhydride is included on this list.

Reactivity Profile · 1건

TETRABROMOPHTHALIC ANHYDRIDE reacts exothermically with water. This reaction is expected to be slow, but can become vigorous if local heating accelerates it. Reaction with water is accelerated by acids. Incompatible with acids, strong oxidizing agents, alcohols, amines, and bases.

Air and Water ReactionsInsoluble in water. Sensitive to moisture (NTP, 1992).
Hazard Classes and CategoriesSkin Sens. 1 (21.6%)

안전 및 보호

Fire FightingFires involving this material should be controlled using 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: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

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

Non-Human Toxicity Excerpts · 1건

THE RECENT FINDING THAT THE WIDELY USED FLAMEPROOFING AGENT, TRIS-(2,3-DIBROMOPROPYL)PHOSPHATE, IS MUTAGENIC IN THE AMES SALMONELLA MICROSOME MUTAGENICITY TEST HAS CAUSED CONCERN THAT OTHER FLAME-PROOFING AGENTS MAY ALSO BE MUTAGENIC. A TEST WHICH UTILIZED S TYPHIMURIUM TESTER STRAINS, TA100, TA98, TA1537 AND TA1535 AND RAT LIVER WAS USED TO STUDY THE MUTAGENICITY OF FLAME RETARDANTS. RESULTS PROVIDE NO INDICATION OF A MUTAGENIC EFFECT OF TETRABROMOPHTHALIC ANHYDRIDE.

Toxicity DataLC (rat) > 10,920 mg/m3/4h

규제 정보

TSCA Requirements · 2건

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Tetrabromophthalic anhydride is included on this list.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
TI3350000
독성
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
HS 번호
29173911
risk_code
36/37/38-43
hazard_code
Xi
safety_code
26-37/39-24/25-36/37
기존화학 물질
KE-33264
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
632-79-1(Hazardous Substances Data)

응용 분야

용도Tetrabromophthalic Anhydride is a brominated flame retardant used as additives in plastics to decrease the rate of combustion of these materials, leading to greater consumer safety.

일반 설명Pale yellow crystalline solid.

상·하류 제품 정보

상류 원료

발연황산dilute sulphuric acid사염화탄소무수프탈산브롬철분테트라브로모프탈산황산4-브로모프탈산무수물

하류 제품

N,N'-에틸렌비스(테트라브로모프탈이미드)4,5,6,7-Tetrabromo-2-(2,4,6-tribromophenyl)-1H-isoindole-1,3(2H)-dione