基本情報
- 標準SMILES
CCn1c2ccccc2c2cc(N)ccc21- InChIKey
OXEUETBFKVCRNP-UHFFFAOYSA-N- 分子式
- C14H14N2
- 平均分子量
- 210.27 g/mol
- 単同位体質量
- 210.11569845
概要
3-amino-9-ethylcarbazole is a tan powder. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Amino-9-ethylcarbazole
- IUPAC
- 9-ethylcarbazol-3-amine
- 現地名
- 3-アミノ-N-エチルカルバゾール
- 英語名
- 3-Amino-9-ethylcarbazole
- 分子式
- C14H14N2
- 分子量
- 210.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
132-32-1- PubChem CID
- 8588
- DTXSID
DTXSID1030319- ChEMBL
CHEMBL327035- ChEBI
CHEBI:122149- UNII
- 8Q2BG27JBU
- EC Number
- 205-057-7
- Nikkaji
- J36.857A
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 31 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 253
実験および物理化学的性質
Melting Point
208 to 212 °F (NTP, 1992)
127 °C
Physical Description
3-amino-9-ethylcarbazole is a tan powder. (NTP, 1992)
Tan solid; [CAMEO] Powder or lumps; [MSDSonline]
物理化学的性質
- 融点
- 85 · 85-88 °C(lit.)
- 沸点
- 355 C · 355C
- 比重(密度)
- 1 · 1,15g/cm
- 屈折率
- 1.618 · 1.6180 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム(少量)、メタノール(少量)
- 酸解離定数(Pka)
- 4.99 · 4.99±0.30(Predicted)
- 外見
- タブレット
- 色
- ブラウン~ベリーダークブラウン
- BRN
- 174969 · 174969
- InChI
- InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3
- InChIKey
- OXEUETBFKVCRNP-UHFFFAOYSA-N
- SMILES
- N1(CC)C2=C(C=CC=C2)C2=C1C=CC(N)=C2
- CAS データベース
- 132 · 132-32-1(CAS DataBase Reference)
- NISTの化学物質情報
- 9 H-carbazol-3-amine, · 9H-carbazol-3-amine, 9-ethyl-(132-32-1)
- EPAの化学物質情報
- 3 · 3-Amino-9-ethylcarbazole (132-32-1)
化学的性質
化学的特性3-Amino-9-ethylcarbazole is a brownish or tannish powder and chunks. It is utilized for producing dyes and pigments, as well as serving as an indicator for peroxidase in cells and a biological stain.
安全と法規制
GHS分類
GHS Classification
Danger
H350: May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H301 (81.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Carcinogenicity
9H-Carbazol-3-amine, 9-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Special Reports
Bioassay of 3-Amino-9-ethylcarbizole hydrochloride for Possible Carcinogenicity (1978) Technical Rpt Series No. 93 DHEW Pub No. (NIH) 78-1337, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014 /3-Amino-9-ethylcarbizole hydrochloride/
Reactivity Profile
3-AMINO-9-ETHYLCARBAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
Hazard Classes and Categories
Acute Tox. 3 (81.5%)
Carcinogenicity - category 1B
Acute toxicity (Oral) - Category 3
Carc. 1B
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, 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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
毒性情報
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=132-32-1]
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /3-Amino-9-ethylcarbazole hydrochloride/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=6109-97-3]
National Toxicology Program Studies
A bioassay of 3-amino-9-ethylcarbazole hydrochloride for possible carcinogenicity was conducted by administering the test chemical in the feed to Fischer 344 rats and B6C3F1 mice. Both the free amine form and the hydrochloride salt were used. Groups of 50 rats of each sex and 50 mice of each sex were admin the test cmpd at one of two doses, either 800 or 2,000 ppm for the rats and either 800 or 1,200 ppm for mice, for 78 wk. The rats were then observed for an additional 26-29 wk, and mice for an additional 16-17 wk. Controls consisted of groups of 50 untreated rats of each sex and 50 untreated mice of each sex; separate controls were used for the groups of animals administered the different doses. All surviving rats were /sacrificed/ at 104-110 wk; all surviving mice were /sacrificed/ at 94-97 wk. ... Under the conditions of this bioassay, 3-amino-9-ethylcarbazole hydrochloride was carcinogenic for the liver, inducing hepatocellular carcinomas in Fischer 344 rats and B6C3F1 mice of both sexes. Other tumors induced in the rats were carcinomas or papillomas of the integumentary system in males, carcinomas of the Zymbal's gland of the ear in males and females, and adenocarcinomas of the uterus. Levels of Evidence of Carcinogenicity: Male Rats: Positive; Female Rats: Positive; Male Mice: Positive; Female Mice: Positive. /3-Amino-9-ethylcarbazole hydrochloride/
Non-Human Toxicity Values
LD50 Rat oral 144 mg/kg
LD50 Mouse ip 150 mg/kg
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FE3590000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 25-36/37/38-40-23/24/25-45
- 化審法
- (5)-153
- hazard_code
- T
- safety_code
- 45-36/37/39-26-22-53
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralCarc. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 有毒物質データの
- 132-32-1(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used to make dyes and pigments; Also used as an indicator of peroxidase in cells and a biological stain; [HSDB]
CHEM INT FOR C.I. PIGMENT VIOLET 23 & DIRECT BLUE 108; HISTOCHEMICAL INDICATOR FOR ASSAYING PEROXIDASE; BIOLOGICAL STAIN
U.S. Production
(1977) PROBABLY GREATER THAN 4.54X10+6 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
応用分野
用途有機合成原料。
使用3-Amino-9-ethylcarbazole (AEC) has been used as a chromogen in immunohistochemistry to visualize the cells. It has also been used as a substrate in enzyme-linked immune absorbent spot (ELISpot).
一般的な説明Tan powder.
調製方法
製造方法Prepared by reducing 3-nitro-N-ethylcarbazole with sodium sulfide.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: 3-Amino-9-ethylcarbazole is a hydrochloride salt and free amine solid compound. It has been used to visualize the bound primary antibody by using a streptavidin method. It has also been used in visualizing tissue sections from tumour samples.
関連反応
関連ノート
読み込み中…