基本情報
- 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
名称をさらに表示
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
- 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
Color/Form
NEEDLES FROM ACETIC ACID-XYLENE
Pale yellow crystalline solid
Solubility
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
535.1 to 536.9 °F (NTP, 1992)
279.5-280.5 °C
Physical Description
Tetrabromophthalic anhydride is a pale yellow crystalline solid. (NTP, 1992)
Dry Powder; CBI
Pale yellow solid; [HSDB] Powder; [MSDSonline]
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
GHS分類
GHS Classification
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
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
Hazards Summary
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.
TSCA Requirements
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
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.
安全と保護具
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: 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
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)
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
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.
法規制情報
TSCA Requirements
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
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. Production
2023: 10,000,000 - <25,000,000 lb
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 6.81X10+6 GRAMS
Methods of Manufacturing
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
Construction
1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-: ACTIVE
応用分野
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
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…