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3-アミノ-N-エチルカルバゾール

3-Amino-9-ethylcarbazole

HCID 8588
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
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
132-32-1
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

3-AMINO-9-ETHYLCARBAZOLE132-32-19-Ethyl-9H-carbazol-3-amine3-Amino-N-ethylcarbazole9H-Carbazol-3-amine, 9-ethyl-Carbazole, 3-amino-9-ethyl-DTXSID10303198Q2BG27JBU9-ethyl-3-carbazolamineNSC-67709DTXCID5055RefChem:497512
名称をさらに表示
3-アミノ-N-エチルカルバゾール3-アミノ-9-エチル-9H-カルバゾール9-エチル-9H-カルバゾール-3-アミン3-アミノ-N-エチルカルバゾ-ル3-アミノ-9-エチルカルバゾール3-アミノ-9-エチルカルバゾル3-アミノ-9-エチルカルバゾール [生化学用]3‐アミノ‐9‐エチルカルバゾール3-アミノ-9-エチルカルバゾール, IN ISOOCTANE (1000ΜG/ML)AEC3AC50XAEC BUFFERAKOS BBS-00003629TIMTEC-BB SBB000498
205-057-79-Ethylcarbazol-3-amineMFCD000049649-ethyl-9H-carbazol-3-ylamine9-ethylcarbazole-3-ylamineAEC, 50XEN300-20033WLN: T B656 HNJ DZ H2

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

PolymersNitrogen Compounds -> Amines, Polyaromatic
Color/FormCrystalline compound
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
DecompositionWhen heated to decomposition it emits toxic fumes of /oxides of nitrogen/.
Melting Point · 2 件

208 to 212 °F (NTP, 1992)

127 °C

Physical Description · 2 件

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

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 · 6 件

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 · 2 件

Hazard Traits - Carcinogenicity

9H-Carbazol-3-amine, 9-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryOral LD50 (rats) = 144 mg/kg; [HSDB] An irritant; [MSDSonline] Could be carcinogenic for man but not conclusive because of insufficient data; [MAK]
Reactive GroupAmines, Aromatic
Special Reports · 1 件

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 · 1 件

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.

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

(1977) PROBABLY GREATER THAN 4.54X10+6 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

General Manufacturing Information9H-Carbazol-3-amine, 9-ethyl-: ACTIVE
応用分野 · 3 件

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

カリウム tert-ブトキシドアンモニア水エタノールN,N-ジメチルホルムアミド硫化ナトリウムしゅう酸ジエチル

関連反応

172 件
反応記録を作成
HRID 50604 の反応式
HRID 50604反応物としてuspto-grants-2004_03
HRID 222396 の反応式
HRID 222396反応物としてuspto-grants-2012_06
HRID 254974 の反応式
HRID 254974反応物としてuspto-grants-2011_01
HRID 335379 の反応式
HRID 335379反応物としてuspto-grants-2014_11
HRID 364916 の反応式
HRID 364916反応物としてuspto-grants-1986_08
HRID 421036 の反応式
HRID 421036反応物としてuspto-grants-2012_01
HRID 802492 の反応式
HRID 802492反応物としてTest data from https://doi.org/10.1039/C8SC04228D
HRID 922565 の反応式
HRID 922565反応物としてuspto-grants-2016_03
1 / 22 ページ

化合物ノート

読み込み中…

このページの内容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
その他の操作
ノートを作成反応を作成見積依頼を出す
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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 4 件

Acute Tox. 3 (81.5%)

Carcinogenicity - category 1B

Acute toxicity (Oral) - Category 3

Carc. 1B

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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: 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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 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 · 2 件

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]

Probable Routes of Human ExposurePlant workers engaged in the manufacture of this compound and its use in pigment manufacture. Laboratory workers using this material in colorimetric enzyme assays and as a biological stain.
National Toxicology Program Studies · 1 件

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 · 2 件

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)
カルバゾール
6-ニトロ-9-エチル-9H-カルバゾール
塩酸
硝酸
酢酸
メタノール
鉄粉
1H-イミダゾール-2-カルボアルデヒド

下流製品

REMASTRAL BLUE FFRL8,18-ジクロロ-5,15-ジエチル-5,15-ジヒドロジインドロ[3,2-b:3',2'-m]トリフェノジオキサジン3-[[2-[[3-(モルホリン-4-イル)プロピル]アミノ]ピリミジン-4-イル]アミノ]-9-エチル-9H-カルバゾールDIRECT BLUE 1083-ヨード-9-エチル-9H-カルバゾール
補足説明 · 1 件

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.