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기본 정보
- CAS
173194-95-1- 표준 SMILES
OB(O)c1ccc2cc(O)ccc2c1- InChIKey
SNJANQMHRGSHFN-UHFFFAOYSA-N- 분자식
- C10H9BO3
- 평균 분자량
- 187.99 g/mol
- 단동위원소 질량
- 188.0644743
이름 및 식별자
- 우선 이름
- (6-Hydroxynaphthalen-2-yl)boronic acid
- IUPAC
- (6-hydroxynaphthalen-2-yl)boronic acid
- 영어명
- 6-HYDROXY-2-NAPHTHALENEBORONIC ACID
- 분자식
- C10H9BO3
- 분자량
- 187.99
이름 및 동의어
173194-95-1(6-hydroxynaphthalen-2-yl)boronic AcidEC 687-349-8DTXSID60402228RefChem:405057DTXCID00353083687-349-86-Hydroxy-2-naphthaleneboronic acid6-Hydroxynaphthalene-2-boronic acid6-hydroxynaphthalen-2-ylboronic acidMFCD00092986Boronic acid, B-(6-hydroxy-2-naphthalenyl)-
이름 더 보기
EOS-61102AKOS BRN-04306-Hydroxy-2-naphthoboric acid6-HYDROXY-2-NAPHTALENEBORONIC ACID6-HYDROXY-2-NAPTHALENE BORONIC ACID6-HYDROXY-2-NAPHTHYLENEBORONIC ACID
6-Hydroxy-2-naphthaleneboronicacidC10H9BO3(6-HYDROXY-2-NAPHTHYL)BORONIC ACID6-Hydroxyl-2-naphthaleneboronicacidBoronic acid, (6-hydroxy-2-naphthalenyl)-Boronic acid,B-(6-hydroxy-2-naphthalenyl)-(6-hydroxy-2-naphthalenyl)boronic acidSCHEMBL8649
데이터베이스 식별자
- CAS
173194-95-1- PubChem CID
- 4349738
- DTXSID
DTXSID60402228- EC Number
- 687-349-8
물성
구조 계산 물성보충 중
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 198
물리화학적 성질
- 녹는점
- 218 · 218-224°C
- 끓는 점
- 458.6 · 458.6±37.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 8.8 · 8.80±0.30(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Yellow to Orange
- InChI
- 1S/C10H9BO3/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1-6,12-14H
- InChIKey
- SNJANQMHRGSHFN-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccc2cc(O)ccc2c1
- LogP
- 2.47 at · 2.47 at 21.6℃
화학적 성질
White solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (18.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (85.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 54 reports by companies from 7 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
Regulatory InformationStatus: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7159
Hazard Classes and CategoriesAcute Tox. 4 (18.5%)；Skin Irrit. 2 (85.2%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)
규제 정보
Regulatory InformationStatus: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7159
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29319090
화학 및 산업
응용 분야
용도6-Hydroxynaphthalene-2-boronic acid can be used to synthesize inhibitors for oxygenase, tyrosine and phosphoinositide kinases. Tyrosine and phosphoinositide kinases are an attractive target for developing cancer drugs.
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