基本情報
- CAS
104491-90-9- 標準SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12- InChIKey
DCYIADGZPJOOFN-UHFFFAOYSA-N- 分子式
- C42H18N2O6
- 平均分子量
- 646.6 g/mol
- 単同位体質量
- 646.1164863
概要
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)
名称と識別子
- 優先名称
- Vat Brown 1
- IUPAC
- 17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21,23,25,28,31(44),32(41),34,36,38,42-octadecaene-7,14,20,27,33,40-hexone
- 現地名
- バットブラウン44
- 英語名
- Vat Brown 1
- 分子式
- C42H18N2O6
- 分子量
- 646.6
名称と別名
名称をさらに表示
データベース識別子
- CAS
104491-90-9、241813-60-5、2475-33-4、37400-11-6、39456-84-3- PubChem CID
- 62448
- DTXSID
DTXSID7026283- UNII
- 7B7O2R5Q9A
- EC Number
- 219-599-7、600-573-2、814-889-5、841-224-6、842-652-6
物性
構造計算による物性
- XLogP
- 7.7
- 極性表面積
- 134 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,460
実験および物理化学的性質
Physical Description
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)
Dry Powder
物理化学的性質
- 沸点
- 675.58 °C · 675.58°C (rough estimate)
- 比重(密度)
- 1.2856 · 1.2856 (rough estimate)
- 屈折率
- 1.467 · 1.4670 (estimate)
- 酸解離定数(Pka)
- 11.33 · 11.33±0.20(Predicted)
- LogP
- 8.52 · 8.52
- CAS データベース
- 2475 · 2475-33-4(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · C.I. Vat Brown 1 (2475-33-4)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 17.1% (6 of 35) of reports.
Warning
H317 (71.4%): 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 35 reports by companies from 5 notifications to the ECHA C&L Inventory.
Danger
危険有害性情報
Regulatory Information
Chemical: Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro- 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)
REACH registered substance: 16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2'3'-i]carbazole-5,10,15,17,22,24-hexone (EC: 219-599-7)
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.
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)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-: ACTIVE
応用分野
一般的な説明Fine, dark brown to black crystalline powder with a slight odor.
調製方法
製造方法1,4-Diaminoanthraquinone and 1-Bromoanthracene-9,10-dione or 1-Bromoanthracene-9,10-dione (2 Moore) condensation, its product in Pyridine with Aluminium chloride heating.
上流・下流製品情報
上流原料
下流製品
サプライヤー43 社
関連反応
現在のフィルター条件では反応記録がありません。
化合物ノート
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