2,4-Diaminopyrimidine-5-carbonitrile

HCID 282115CAS 16462-27-4

기본 정보

표준 SMILES
N#Cc1cnc(N)nc1N
InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N
분자식
C5H5N5
평균 분자량
135.13 g/mol
단동위원소 질량
135.05449518

이름 및 식별자

우선 이름
2,4-Diaminopyrimidine-5-carbonitrile
IUPAC
2,4-diaminopyrimidine-5-carbonitrile
영어명
2,4-Diaminopyrimidine-5-carbonitrile
분자식
C5H5N5
분자량
135.13

이름 및 동의어

2,4-Diaminopyrimidine-5-carbonitrile16462-27-4DTXSID60300179RefChem:82285DTXCID60251314813-877-72,4-Diamino-5-cyanopyrimidine2,4-Diamino-pyrimidine-5-carbonitrileMFCD000856005-Pyrimidinecarbonitrile, 2,4-diamino-NSC 1352352,4-diamino-5-pyrimidine carbonitrile
이름 더 보기
2,4-DIAMINO-5-CYANO-PYRIMIDINE2,4-Diaminopyrimidine-5-carbonitriL2,4-Diaminopyrimidine-5-carbonitrile ,97%5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE ISO 9001:2015 REACH
2,4-Diamino-5-cyanopyrimidine; 2,4-Diamino-5-pyrimidinecarbonitrile; NSC 135235;2,4-diamino-5-pyrimidinecarbonitrileNSC135235SCHEMBL263835SCHEMBL17330922pyrimidine, 2,4-diamino-5-cyano-SBB012809STK785133

데이터베이스 식별자

CAS
16462-27-4
PubChem CID
282115
DTXSID
DTXSID60300179
EC Number
813-877-7

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
102 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
10

물리화학적 성질

녹는점
318 °C · 318 °C (decomp)
끓는 점
498.2 · 498.2±55.0 °C(Predicted)
밀도
1.45 · 1.45±0.1 g/cm3(Predicted)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C
용해도
DMF(약간 용해됨, 가열), DMSO(약간 용해됨)
물리적 상태
고체

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%);Acute Tox. 4 (50%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);STOT SE 3 (100%)

안전 데이터

HS 번호
29335990

화학 및 산업

응용 분야

용도2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

관련 반응

4건

연결된 노트

불러오는 중…