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テトラブロモフタル酸 無水物

Tetrabromophthalic anhydride

HCID 12443
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
632-79-1
標準SMILES
O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21
InChIKey
QHWKHLYUUZGSCW-UHFFFAOYSA-N
分子式
C8Br4O3
平均分子量
463.7 g/mol
単同位体質量
459.65809226

概要

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

名称と識別子

優先名称
Tetrabromophthalic anhydride
IUPAC
4,5,6,7-tetrabromo-2-benzofuran-1,3-dione
現地名
テトラブロモフタル酸 無水物
英語名
Tetrabromophthalic anhydride
分子式
C8Br4O3
分子量
463.7

名称と別名

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
名称をさらに表示
テトラブロモフタル酸 無水物テトラブロモフタル酸無水物3,4,5,6-テトラブロモフタル酸無水物4,5,6,7-テトラブロモイソベンゾフラン-1,3-ジオン4,5,6,7-テトラブロモ-1,3-イソベンゾフランジオンテトラブロモベンゼンジカルボン酸無水物テトラブロモ無水フタル酸ファイアーマスターPHT4テトラブロモフタル酸無水物 (昇華精製品)4,5,6,7-Tetrabromoisobenzofuran-1,3-dionepht4fg400fg4000NSC 4874SAYTEX RB-49
Q8E543QKMKPhthalic acid, tetrabromo-, anhydrideDion 6692NSC-4874FG 400RefChem:188397PHTHALIC ACID, TETRABROMO, ANHYDRIDE211-185-4

データベース識別子

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

物性

構造計算による物性補完中

XLogP
4.1
極性表面積
43.4 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
15
形式電荷
0
複雑度
291

実験および物理化学的性質

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

NEEDLES FROM ACETIC ACID-XYLENE

Pale yellow crystalline solid

Solubility · 3 件

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 · 2 件

535.1 to 536.9 °F (NTP, 1992)

279.5-280.5 °C

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

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/

物理化学的性質

融点
269 · 269-271 °C (lit.)
沸点
540.5 · 540.5±50.0 °C(Predicted)
比重(密度)
2.87 · 2.87
蒸気圧
0.11 mm · 0.11 mm Hg ( 180 °C)
屈折率
1.5 · 1.5000 (estimate)
貯蔵温度
30 °C · Store below +30°C.
溶解性
クロロホルム(少量)、DMSO(少量、超音波処理)、メタノール(少量、加熱、
外見
粉
色
白色~淡黄色
水溶解度
加水分解
BRN
18908 · 18908
Henry's Law Constant
6.1 · 6.1×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
安定性
湿気に敏感
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℃
CAS データベース
632 · 632-79-1(CAS DataBase Reference)
NISTの化学物質情報
Phthalic anhydride, tetrabromo-(632-79-1)
EPAの化学物質情報
Tetrabromophthalic anhydride (632-79-1)

化学的性質

化学的特性white to light yellow powder

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 5 件

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 · 1 件

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 GroupAnhydrides
TSCA Requirements · 2 件

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 · 1 件

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%)

安全と保護具

Fire FightingFires involving this material should be controlled using a dry chemical carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 · 1 件

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 · 1 件

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) · 1 件

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)

毒性情報

Non-Human Toxicity Excerpts · 1 件

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

法規制情報

TSCA Requirements · 2 件

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.

安全データ

wgk
2
tsca
TSCA listed
rtecs
TI3350000
毒性
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
hs_code
29173911
risk_code
36/37/38-43
化審法
(3)-62
hazard_code
Xi
safety_code
26-37/39-24/25-36/37
ストレージクラス
11 - Combustible Solids
有毒物質データの
632-79-1(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 6 件

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 · 3 件

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 · 1 件

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 · 2 件

Construction

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

応用分野 · 3 件

用途難燃剤、有機合成原料。

使用Tetrabromophthalic 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.

一般的な説明Pale yellow crystalline solid.

上流・下流製品情報

上流原料

発煙硫酸dilute sulphuric acid四塩化炭素フタル酸無水物臭素鉄粉テトラブロモフタル酸硫酸水素4-ブロモフタル酸無水物

下流製品

2,2'-エチレンビス(4,5,6,7-テトラブロモイソインドリン-1,3-ジオン)4,5,6,7-テトラブロモ-2-(2,4,6-トリブロモフェニル)-1H-イソインドール-1,3(2H)-ジオン

関連反応

23 件
反応記録を作成
HRID 26365 の反応式
HRID 26365反応物としてuspto-grants-1979_04
HRID 200425 の反応式
HRID 200425反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 213821 の反応式
HRID 213821反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 236389 の反応式
HRID 236389反応物としてuspto-grants-1987_02
HRID 326341 の反応式
HRID 326341反応物としてuspto-grants-1993_12
HRID 326342 の反応式
HRID 326342反応物としてuspto-grants-1993_12
HRID 354598 の反応式
HRID 354598反応物としてuspto-grants-1983_03
HRID 485090 の反応式
HRID 485090反応物としてuspto-grants-1985_08
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