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2,5-ジチオビ尿素

2,5-Dithiobiurea

HCID 2724564
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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
142-46-1
標準SMILES
NC(=S)NNC(N)=S
InChIKey
KCOYHFNCTWXETP-UHFFFAOYSA-N
分子式
C2H6N4S2
平均分子量
150.23 g/mol
単同位体質量
150.00338856

概要

2,5-dithiobiurea is a brown powder. (NTP, 1992)

名称と識別子

優先名称
2,5-Dithiobiurea
IUPAC
(carbamothioylamino)thiourea
現地名
2,5-ジチオビ尿素
英語名
Hydrazodicarbothioamide
分子式
C2H6N4S2
分子量
150.23

名称と別名

2,5-DITHIOBIUREA142-46-1HydrazodicarbothioamideDithiobiureaBithioureaDithioureaBis(thiourea)1,2-HydrazinedicarbothioamideDithiocarbamoylhydrazine2,5-DithiodiureaBisthiocarbamyl hydrazineBithiourea (VAN)
名称をさらに表示
2,5-ジチオビ尿素2,5-ジチオビウレア2,5-ジチオウレアビスチオ尿素ジチオビ尿素ジチオビ尿素, 97%BISTHIOUREAhydrazine-1,2-bis(carbothioaMide)usafb-44usafb-55
USAF ek-p-6281Biurea, 2,5-dithio-Dithiobiurea (VAN)USAF B-44USAF B-55N,N'-Bis(thiocarbamyl)hydrazineNCI-C03009NSC 3511

データベース識別子

CAS
142-46-1
PubChem CID
2724564
DTXSID
DTXSID8020545
ChEMBL
CHEMBL541231
UNII
825972ISQX
EC Number
205-537-6
Nikkaji
J16.830K

物性

構造計算による物性

XLogP
-0.9
極性表面積
140 Ų
水素結合供与体数
4
水素結合受容体数
2
回転可能結合数
0
重原子数
8
形式電荷
0
複雑度
96.6

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Thiourea Compounds
Solubilityless than 0.1 mg/mL at 73 °F (NTP, 1992)
Physical Description · 2 件

2,5-dithiobiurea is a brown powder. (NTP, 1992)

Brown solid; [CAMEO] Off-white powder; [Alfa Aesar MSDS]

物理化学的性質

融点
212 °C · 212 °C (dec.)(lit.)
沸点
291.6 · 291.6±23.0 °C(Predicted)
比重(密度)
1.412 · 1.412 (estimate)
屈折率
1.5605 · 1.5605 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
外見
個体
酸解離定数(Pka)
10.24 · 10.24±0.70(Predicted)
色
White to Light yellow
水溶解度
熱水、ピリジン、トリエチルアミン、ジメチルホルムアミドに可溶。冷水に不溶。
BRN
1723178 · 1723178
InChI
InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
InChIKey

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 · 4 件

Warning

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsThe flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Hazards SummaryHas reproductive effects when fed to female pigs; No evidence of mutagenicity; [HSDB] No evidence of carcinogenicity in rats and male mice and equivocal evidence in female mice; [NTP] An irritant; [Alfa Aesar MSDS]
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Special ReportsDHEW/NCI; Bioassay of 2,5-Dithiobiurea for Possible Carcinogenicity (1979) Technical Rpt Series No. 132 DHEW Pub No. (NIH) 79-1387
Reactivity Profile · 1 件

2,5-DITHIOBIUREA is related to dithiocarbamates. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

化学と産業

用途と製造

Uses · 2 件

Used in organic synthesis and as a component of photographic chemicals; [NTP]

Photographic Processing [Category: Other]

General Manufacturing Information1,2-Hydrazinedicarbothioamide: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2,5-Dithiobiurea is used in radiopharmaceutical imaging, inhibiting enzyme function, kidney function study and to treat toxic metal poisoning. It is also used in co-crystals development and in the field of nonlinear optics to generate new coherent wavelengths

一般的な説明Brown powder.

上流・下流製品情報

上流原料

ヒドラジン·硫酸チオシアン酸アンモニウムSulforhodamine

下流製品

2-アミノ-5-メルカプト-1,3,4-チアジアゾール2-(Acetamido)-5-(chlorosulfonyl)-1,3,4-thiadiazoleビスメルチアゾール3-アミノ-5-メルカプト-1,2,4-トリアゾール

関連反応

0 件
反応記録を作成

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

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
KCOYHFNCTWXETP-UHFFFAOYSA-N
SMILES
N(C(N)=S)NC(N)=S
CAS データベース
142 · 142-46-1(CAS DataBase Reference)
EPAの化学物質情報
2 · 2,5-Dithiobiurea (142-46-1)

化学的性質

化学的特性white to off-white crystalline powder

安全と保護具

Fire FightingFires involving this material can be controlled with 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: 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) · 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

Ongoing Test Status · 1 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=142-46-1]

Human Toxicity Excerpts · 1 件

In the manufacture of rubber, irritant contact dermatitis may occur from a variety of acids, alkalies, detergents, and solvents used in the process. Allergic contact dermatitis occurs not infrequently and is almost always due to an organic accelerator or antioxidant. While the list of potential sensitizing accelerators and antioxidants is enormous, common allergens include ... thioureas. /Thioureas/

Carcinogen Classification · 6 件

2,5-Dithiobiurea

TR-132: Bioassay of 2,5-Dithiobiurea for Possible Carcinogenicity (CASRN 142-46-1) (1979 )

10/25/78

No Evidence

No Evidence

No Evidence

Non-Human Toxicity Excerpts · 4 件

ADMIN TO MALE & FEMALE MICE IN FEED FOR 78 WK @ CONCN OF 1 & 2%. AMONG FEMALE MICE HIGH INCIDENCE OF HEPATOCELLULAR CARCINOMA, WHILE THERE WAS NO INCREASE IN CARCINOGENICITY IN MALE MICE AND CONTROLS.

INCR WT OF ADRENAL GLANDS & OVARIES IF FED DURING ESTRUS CYCLE TO GILTS. LOWER FOLLICLE STIMULATING HORMONE INDICATED INHIBITION OF SYNTHESIS. RELEASE OF LUTEINIZING HORMONE WAS SUPPRESSED, THIS SUPPRESSION WAS SUPPORTED BY LACK OF OVULATION AND ESTRUS.

ADMIN TO MALE & FEMALE RATS IN FEED FOR 78 WK AT CONCN OF 0.6 OR 1.2%. THERE WAS NO CARCINOGENICITY FOR EITHER MALE OR FEMALE RATS.

2,5-Dithiobiurea was found to be negative when tested for mutagenicity using the Salmonella/microsome preincubation assay, using the standard protocol approved by the National Toxicology Program (NTP). 2,5-Dithiobiurea was tested in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat and hamster liver S9, at doses of 0.001, 0.0033, 0.010, 0.033, 0.100, 0.333, and 1.000 mg/plate. The highest ineffective dose tested in any Salmonella typhimurium strain was 1.000 mg/plate.

National Toxicology Program Studies · 1 件

A bioassay of 2,5-dithiobiurea for possible carcinogenicity was conducted using Fischer 344 rats and B6C3F1 mice. 2,5-Dithiobiurea was administered in the feed, at either of two concentrations, to groups of 50 male and 50 female animals of each species, with the exception of high dose male rats, of which there were only 49. The dietary concentrations used in the chronic bioassay were 0.6% for the low dose rats and 1.2% for the high dose rats. The dietary concentrations used for low and high dose mice were 1.0 and 2.0%, respectively. After a 78 week dosing period, observation of the rats continued for an additional 31 weeks and observation of the mice continued for an additional 16 weeks. For each species, 50 animals of each sex were placed on test as controls. Among female mice, the Cochran-Armitage test indicated a significant positive association between the incidence of hepatocellular carcinoma and dietary concentration of 2,5-dithiobiurea. According to results of the Fisher exact test, the incidence of hepatocellular carcinoma was significantly higher in the high dose female mouse group when compared to the corresponding control group but not when compared to the laboratory historical control data. No neoplasms occurred at a significantly higher incidence in dosed male mice than in their controls. Under the conditions of this bioassay, the evidence suggested, but was insufficient to establish the carcinogenicity of 2,5-dithiobiurea for female B6C3F1 mice. The compound was not carcinogenic to male B6C3F1 mice or to male or female Fischer 344 rats.

安全データ

wgk
3
tsca
TSCA listed
rtecs
EC1460000
hs_code
2930.90.9250
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
有毒物質データの
142-46-1(Hazardous Substances Data)