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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 63.1
실험 및 물리화학적 성질
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.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.1 · 12.10±0.40(Predicted)
- 색상
- 하얀색
- 수용성
- 물에 용해됩니다.
- BRN
- 112467 · 112467
- 안정성
- 안정성 공기에 민감함. 산 및 산화제와 반응합니다.
- InChI
- 1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
- InChIKey
- PKWIYNIDEDLDCJ-UHFFFAOYSA-N
- SMILES
- Nc1n[nH]c(N)n1
- NIST
- 3 · 3,5-Diamino-1,2,4-triazole(1455-77-2)
- EPA
- Guanazole (1455-77-2)
화학적 성질
colourless crystals or faintly yellow powder
안전 및 규제
GHS 분류
GHS Classification
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
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.
Reactivity Profile
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
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, 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)
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
- safety_code
- 36/37-45-36/37/39-27-26
- Hazard Classifications
- Aquatic Chronic 2Repr. 2STOT RE 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
응용 분야
일반 설명Colorless crystals.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: An aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups.
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