기본 정보
- CAS
52222-87-4- 표준 SMILES
O=C(c1ccccc1)c1ccc2cc(O)ccc2c1- InChIKey
MJKZGSBXCWNUHV-UHFFFAOYSA-N- 분자식
- C17H12O2
- 평균 분자량
- 248.27 g/mol
- 단동위원소 질량
- 248.08372962
이름 및 식별자
- 우선 이름
- 6-Benzoyl-2-naphthol
- IUPAC
- (6-hydroxynaphthalen-2-yl)-phenylmethanone
- 현지명
- 6-벤조일-2-나프톨
- 영어명
- 6-BENZOYL-2-NAPHTHOL
- 분자식
- C17H12O2
- 분자량
- 248.28
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
52222-87-4- PubChem CID
- 93271
- DTXSID
DTXSID30200273- ChEMBL
CHEMBL1496592- UNII
- UVY9GCI1OV
- EC Number
- 257-755-6
- Nikkaji
- J71.226D
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 녹는점
- 161 · 161-162 °C (lit.)
- 끓는 점
- 351.35 °C · 351.35°C (rough estimate)
- 밀도
- 1.129 · 1.1290 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 용해도
- 50 mg/mL · 에탄올: 용해성50mg/mL
- 산도 계수 (pKa)
- 8.77 · 8.77±0.40(Predicted)
- InChI
- 1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H
- InChIKey
- MJKZGSBXCWNUHV-UHFFFAOYSA-N
- SMILES
- Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
안전 데이터
- wgk
- 3
- rtecs
- OB4360000
- 독성
- otr-ham:kdy 80 mg/L BJCAAI 37,873,78
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6-Benzoyl-2-naphthol was used in the synthesis of potassium 6-benzoyl-2-naphthyl sulfate, substrate for histochemical investigation of aryl sulfatase activity. It was also used in preparation of substrate for histochemical demonstration of acid phosphatase in the organs of albino rat.
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