2-히드록시-5-니트로벤즈알데히드

5-Nitrosalicylaldehyde

HCID 66808CAS 76700-97-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc([N+](=O)[O-])ccc1O
InChIKey: IHFRMUGEILMHNU-UHFFFAOYSA-N
분자식: C7H5NO4
평균 분자량: 167.12 g/mol
단동위원소 질량: 167.02185764

이름 및 식별자

우선 이름: 5-Nitrosalicylaldehyde
IUPAC: 2-hydroxy-5-nitrobenzaldehyde
현지명: 2-히드록시-5-니트로벤즈알데히드
영어명: 5-Nitrosalicylaldehyde
분자식: C7H5NO4
분자량: 167.12

이름 및 동의어

2-Hydroxy-5-nitrobenzaldehyde5-Nitrosalicylaldehyde97-51-8Benzaldehyde, 2-hydroxy-5-nitro-ZJ6GGT3K66NSC-881DTXSID6059154NSC-97387RefChem:103278DTXCID0049024202-587-0885-772-4

이름 더 보기

2-히드록시-5-니트로벤즈알데히드2-하이드록시-5-나이트로벤즈알데하이드5-니트로사실릴알데히드2-Hydroxy5-Nitrobenzaldehyae(5-nitrosalicylaldehyde)5NSA5-Nitrosalicyladehyde2-hydroxy-5-nitro-benzaldehyd997-51-8AKOS 90780TIMTEC-BB SBB0038855-NITROSALICALDEHYDE

Salicylaldehyde, 5-nitro-MFCD000073375-Nitrososalicylaldehyde2-Hydroxy-5-nitro-benzaldehyde5-nitro salicylaldehydeSCHEMBL792985-nitro-2-hydroxybenzaldehydeBDBM111008

데이터베이스 식별자

CAS: 76700-97-5、97-51-8
PubChem CID: 66808
DTXSID: DTXSID6059154
ChEMBL: CHEMBL3660344
UNII: ZJ6GGT3K66
EC Number: 202-587-0、885-772-4
Nikkaji: J60.297C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 125 · 125-128 °C(lit.)
끓는 점: 295.67 °C · 295.67°C (rough estimate)
밀도: 1.5216 · 1.5216 (rough estimate)
굴절률: 1.628 · 1.6280 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 물(약간 용해됨)
산도 계수 (pKa): 5.08 · 5.08±0.22(Predicted)
물리적 상태: 분말 또는 결정
색상: 노란색에서 주황색, 갈색까지
수용성: 물에 불용성(부분적으로).
BRN: 512565 · 512565
InChI: 1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
InChIKey: IHFRMUGEILMHNU-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(ccc1O)[N+]([O-])=O
NIST: 5 · 5-Nitrosalicylaldehyde(97-51-8)
EPA: 2 · Benzaldehyde, 2-hydroxy-5-nitro- (97-51-8)

화학적 성질

yellow to brown crystals or powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (32.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 2-hydroxy-5-nitro-

Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24705

2-Hydroxy-5-nitrobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (32.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CU6675000
HS 번호: 29130000
risk_code: 36/38-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2-hydroxy-5-nitro-: ACTIVE

응용 분야

용도5-Nitrosalicylaldehyde is used in the synthetic preparation of coumarin (C755380), an pharmaceutic aid that is found in tonka beans, lavender oil, woodruff, sweet clover.

일반 설명The interaction of 2-hydroxy-5-nitrobenzaldehyde and chlorogenic acid (CHL) with the components of the rat hepatic glucose 6-phosphatase system was studied.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

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