1H-1,2,4-트리아졸-3,5-디아민

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

HCID 15078CAS 1455-77-2

기본 정보

표준 SMILES
Nc1n[nH]c(N)n1
InChIKey
PKWIYNIDEDLDCJ-UHFFFAOYSA-N
분자식
C2H5N5
평균 분자량
99.1 g/mol
단동위원소 질량
99.05449516

개요

Guanazole appears as colorless crystals. (NTP, 1992)

이름 및 식별자

우선 이름
3,5-Diamino-1,2,4-triazole
IUPAC
1H-1,2,4-triazole-3,5-diamine
현지명
1H-1,2,4-트리아졸-3,5-디아민
영어명
1H-1,2,4-Triazole-3,5-diamine
분자식
C2H5N5
분자량
99.09

이름 및 동의어

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
이름 더 보기
1H-1,2,4-트리아졸-3,5-디아민4H-1,2,4-TRIAZOLE-3,5-DIAMINETIMTEC-BB SBB004371Guanazole (VAN) (8CI)3,5-diamino-s-triazol
NSC1895DTXCID705367I01TWM5267CHEBI:75425NSC-166592NSC-167391NSC-167392NSC166592

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-0.7
극성 표면적
93.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
202 · 202-205 °C (lit.)
끓는 점
473.7 · 473.7±28.0 °C(Predicted)
밀도
1.686 · 1.686±0.06 g/cm3(Predicted)
굴절률
1.733 · 1.7330 (estimate)
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
2 O: · H2O: 용액이 투명에서 탁함으로 변경됩니다.

화학적 성질

colourless crystals or faintly yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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 · 1건

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)

안전 및 보호

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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) · 1건

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)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XZ4535000
HS 번호
29339990
risk_code
22-34
hazard_code
Xn,Xi,C

화학 및 산업

약리 정보

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

용도 및 제조

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

응용 분야

일반 설명Colorless crystals.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

추가 설명

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

관련 반응

23건

연결된 노트

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