3,5-ジアミノ-1,2,4-トリアゾール

3,5-Diamino-1,2,4-triazole

HCID 15078CAS 1455-77-2

基本情報

標準SMILES
Nc1n[nH]c(N)n1
InChIKey
PKWIYNIDEDLDCJ-UHFFFAOYSA-N
分子式
C2H5N5
平均分子量
99.1 g/mol
単同位体質量
99.05449516

概要

Guanazole appears as colorless crystals. (NTP, 1992)

名称と識別子

優先名称
3,5-Diamino-1,2,4-triazole
IUPAC
1H-1,2,4-triazole-3,5-diamine
現地名
3,5-ジアミノ-1,2,4-トリアゾール
英語名
1H-1,2,4-Triazole-3,5-diamine
分子式
C2H5N5
分子量
99.09

名称と別名

Guanazole1H-1,2,4-Triazole-3,5-diamine1455-77-23,5-DIAMINO-1,2,4-TRIAZOLE3,5-Diamino-s-triazole3,5-Diamino-1H-1,2,4-triazoles-Triazole, 3,5-diamino-NCI-C04819NSC 1895MC 51762NSC-1895DTXSID0025367
名称をさらに表示
3,5-ジアミノ-1,2,4-トリアゾール3,5-ジアミノ-4H-1,2,4-トリアゾール1H-1,2,4-トリアゾール-3,5-ジアミン3,5-ジアミノ-s-トリアゾールグアナゾール3,5-ジアミノ-1H-1,2,4-トリアゾール4H-1,2,4-トリアゾール-3,5-ジアミン3,5‐ジアミノ‐1,2,4‐トリアゾール3,5-ジアミノ-1,2,4-トリアゾール, 99%4H-1,2,4-TRIAZOLE-3,5-DIAMINETIMTEC-BB SBB004371Guanazole (VAN) (8CI)3,5-diamino-s-triazol
NSC1895DTXCID705367I01TWM5267CHEBI:75425NSC-166592NSC-167391NSC-167392NSC166592

データベース識別子

CAS
1455-77-2
PubChem CID
15078
DTXSID
DTXSID0025367
ChEMBL
CHEMBL56973
ChEBI
CHEBI:75425
UNII
I01TWM5267
EC Number
215-937-2
Nikkaji
J13.125C

物性

構造計算による物性

XLogP
-0.7
極性表面積
93.6 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
0
重原子数
7

実験および物理化学的性質

SolubilitySoluble (NTP, 1992)
Melting Point399 to 403 °F (Decomposes) (NTP, 1992)
Physical DescriptionGuanazole appears as colorless crystals. (NTP, 1992)

物理化学的性質

融点
202 · 202-205 °C (lit.)
沸点
473.7 · 473.7±28.0 °C(Predicted)
比重(密度)
1.686 · 1.686±0.06 g/cm3(Predicted)
屈折率
1.733 · 1.7330 (estimate)
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性
2 O: · H2O: 晴れからかすんだ

化学的性質

化学的特性colourless crystals or faintly yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.

Warning

H302+H312+H332 (16.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 171 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 12-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24231

1H-1,2,4-Triazole-3,5-diamine: 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.

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical is stable under normal laboratory conditions. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsExplosive
Reactivity Profile · 1 件

The triazoles, of which GUANAZOLE is a member, are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type of substitution to the triazole ring. The amine substituted derivatives, guanazole, tend not to be explosion sensitive. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives. GUANAZOLE forms salts readily with acids. (NTP, 1992)

安全と保護具

Fire FightingFires involving this material should be controlled using 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)

安全データ

wgk
3
tsca
TSCA listed
rtecs
XZ4535000
hs_code
29339990
risk_code
22-34
化審法
(5)-3586

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.

用途と製造

General Manufacturing Information1H-1,2,4-Triazole-3,5-diamine: ACTIVE

応用分野

用途DNA合成阻害剤、有機合成原料。

一般的な説明Colorless crystals.

調製方法

純化方法The triazole crystallises from water or EtOH. [Beilstein 26 III/IV 1161.]

サプライヤー50 社

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河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義ChEBI: An aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups.

関連反応

23 件

関連ノート

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