기본 정보
- 표준 SMILES
Nc1nc(-c2ccc3ccccc3c2)cs1- InChIKey
GWDNDNTTXIIXRS-UHFFFAOYSA-N- 분자식
- C13H10N2S
- 평균 분자량
- 226.3 g/mol
- 단동위원소 질량
- 226.0564695
이름 및 식별자
- 우선 이름
- 4-(2-Naphthyl)-1,3-thiazol-2-amine
- IUPAC
- 4-naphthalen-2-yl-1,3-thiazol-2-amine
- 현지명
- 2-아미노-4-(2-나프틸)티아졸
- 영어명
- 2-Amino-4-(2-naphthyl)thiazole
- 분자식
- C13H10N2S
- 분자량
- 226.3
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
21331-43-1- PubChem CID
- 673702
- DTXSID
DTXSID70350105- ChEMBL
CHEMBL1372017- EC Number
- 606-740-6
- Nikkaji
- J2.383.114G
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 153 · 153-155°C
- 끓는 점
- 443.9 · 443.9±14.0 °C(Predicted)
- 밀도
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 2 · 2-8°C, protect from light
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.58 · 4.58±0.10(Predicted)
- BRN
- 173533 · 173533
- LogP
- 3.59 at · 3.59 at 25℃ and pH7.45-7.69
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H411 (12.5%): 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+P316, 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 8 reports by companies from 5 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
규제 정보
안전 데이터
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
화학 및 산업
공급사47 곳
관련 반응
연결된 노트
불러오는 중…