3,5-Dimethylpyrazole (HCID 6210)

개요

3,5-Dimethylpyrazole is a member of pyrazoles.

이름 및 식별자

우선 이름: 3,5-Dimethylpyrazole
IUPAC: 3,5-dimethyl-1H-pyrazole
현지명: 3,5-디메틸피라졸
영어명: 3,5-Dimethylpyrazole
분자식: C5H8N2
분자량: 96.13

이름 및 동의어

3,5-Dimethylpyrazole67-51-61H-Pyrazole, 3,5-dimethyl-PYRAZOLE, 3,5-DIMETHYL-3,5 DMPTH 564U 6245H21N865K9JNSC-8729TRIXENE DP 8692DTXSID5058777TH-564

이름 더 보기

3,5-다이메틸피라졸3,5-다이메틸피라암모니아3,5-디메틸피라졸1H-3,5-다이메틸피라졸3,5-다이메틸-1H-피라졸DimethylPyrazole3,5-DIMETHYLPYRAZOLth564u6245TIMTEC-BB SBB004377,5-Dimethylpyrazole

U-6245RefChem:91615DTXCID1044853200-657-53,5-Dimethyl-1H-pyrazoleMFCD000052433,5-DwumetylopirazoluNSC 8729

데이터베이스 식별자

CAS: 67-51-6
PubChem CID: 6210
DTXSID: DTXSID5058777
ChEMBL: CHEMBL1828957
ChEBI: CHEBI:229331
UNII: H21N865K9J
EC Number: 200-657-5
Nikkaji: J41.163I

물성

구조 계산 물성

XLogP: 1
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 63.1

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyrazoles

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure0.14 [mmHg]

Physical Description · 2건

CBI

White crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 105 · 105-108 °C (lit.)
끓는 점: 218 °C · 218 °C (lit.)
밀도: 0 · 0,884 g/cm3
굴절률: 1.4739 · 1.4739 (estimate)
인화점: 210 °C · 210°C
저장 조건: Sealed in dry,Room Temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
산도 계수 (pKa): 15.12 · 15.12±0.10(Predicted)
물리적 상태: 결정질 분말 또는 결정
색상: 흰색에서 거의 흰색
수소이온지수(pH): 6.7 · 6.7 (14g/l, H2O, 20℃)
수용성: 0.1 g/mL · 물에 용해됨, 메탄올 0.1g/mL.
BRN: 106325 · 106325
InChI: 1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKey: SDXAWLJRERMRKF-UHFFFAOYSA-N
SMILES: Cc1cc(C)[nH]n1
LogP: 1.01 · 1.010
NIST: 1 H-Pyrazole, · 1H-Pyrazole, 3,5-dimethyl-(67-51-6)
EPA: 3 · 3,5-Dimethylpyrazole (67-51-6)

화학적 성질

White crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.5% (10 of 220) of reports.

Warning

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 220 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: 1H-Pyrazole, 3,5-dimethyl-

1H-Pyrazole, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrazole, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5791

1H-Pyrazole, 3,5-dimethyl-: 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.

Hazards Summary · 1건

Causes general anesthesia and ataxia in oral lethal-dose studies of mice; [RTECS] Prolonged or repeated exposure may cause liver injury; Suspected of being toxic to fertility or the developing child; [ECHA REACH Registrations] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2건

Acute Tox. 4 (92.7%)

Acute toxicity (Oral) - Category 4

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UQ6477600
HS 번호: 29331990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: IRRITANT
기존화학 물질: 2004-3-2916
Hazard Classifications: Acute Tox. 4 OralSTOT RE 2
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed to formulate polymer preparations and compounds and to make plastic products and fine chemicals; [ECHA REACH Registrations]

U.S. Production2023: <75,000 lb

Industry UsesSolvent

General Manufacturing Information · 2건

Miscellaneous Manufacturing

1H-Pyrazole, 3,5-dimethyl-: ACTIVE

응용 분야

용도3,5-Dimethylpyrazole is used as intermediate for the manufacture of organic dyestuffs and photochemicals. Product Data Sheet

상·하류 제품 정보

상류 원료

1H-Pyrazole, 3,5-dimethyl-1-[2-[(4-methylphenyl)sulfonyl]ethyl]-1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole 에틸3-아미노-4,6-디메틸티에노[2,3-B]피리딘-2-카르복실레이트 1-알릴-35-디메틸피라졸96 1-시아노아세틸-3,5-디메틸피라졸 4-브로모-3,5-디메틸피라졸 세미카바자이드 하이드로클로라이드 하이드라진, 모노수화물 펜탄디온(2,3-)

하류 제품

(1,3,5-트리메틸-1H-피라졸-4-일)메틸아민 1,3,5-트리메틸-1H-피라졸-4-카르복실산 1,3,5-트리메틸-1H-피라졸-4-카르복스알데히드 4-브로모-1,3,5-트리메틸-1H-피라졸 1,3,5-트리메틸피라졸 1H-피라졸-4-카르보닐클로라이드,1,3,5-트리메틸-(9CI)3,5-피라졸디카르복시산 모노하이드레이트 다이메틸하이드록시메틸피라졸 1,4-다이옥사스피로[4.5]데칸-8-온 디에틸3,5-피라졸레디카르복실레이트 4-아미노-3,5-디메틸-피라졸 Benzenesulfonic acid, 3-[2-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-, sodium salt (1:1)

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

연결된 노트

불러오는 중…

3,5-디메틸피라졸

기본 정보

개요