기본 정보
- CAS
14018-90-7- 표준 SMILES
NC(N)=Nc1ccccc1.O=C(O)O- InChIKey
XDSYAIICRRZSJX-UHFFFAOYSA-N- 분자식
- C8H11N3O3
- 평균 분자량
- 197.19 g/mol
- 단동위원소 질량
- 197.08004122
이름 및 식별자
- 우선 이름
- Carbonic acid, compound with phenylguanidine (1:1)
- IUPAC
- carbonic acid;2-phenylguanidine
- 영어명
- Phenylguanidine carbonate salt
- 분자식
- C7H9N3.(H2CO3)x
- 분자량
- 135.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
14018-90-7、6291-89-0、6685-76-3- PubChem CID
- 16217093
- DTXSID
DTXSID70216974- EC Number
- 229-729-4、604-176-5
물성
구조 계산 물성
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 147
물리화학적 성질
- 녹는점
- 149 · 149-153 °C(lit.)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 알칼리성 용액(약간 용해됨, 초음파 처리)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- 1S/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)
- InChIKey
- XDSYAIICRRZSJX-UHFFFAOYSA-N
- SMILES
- OC(O)=O.NC(=N)Nc1ccccc1
화학적 성질
White crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (8 of 10) of all reports.
Danger
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (10%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (10%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 8 of 10 reports by companies.;There are 2 notifications provided by 2 of 10 reports by companies with hazard statement code(s).;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
규제 정보
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Phenylguanidine Carbonate Salt is a reagent used in the preparation of selective polo-like kinase 1 inhibitors. It also functions as a reagent in the synthesis of monosubstituted guanidines.
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