5-Chloro-2-nitrobenzoic acid (HCID 17286)

이름 및 식별자

우선 이름: 5-Chloro-2-nitrobenzoic acid
IUPAC: 5-chloro-2-nitrobenzoic acid
영어명: 5-Chloro-2-nitrobenzoic acid
분자식: C7H4ClNO4
분자량: 201.56

이름 및 동의어

5-CHLORO-2-NITROBENZOIC ACID2516-95-2Benzoic acid, 5-chloro-2-nitro-2-nitro-5-chlorobenzoic acid3-chloro-6-nitrobenzoic acidWVN7Y7ZX6S6-Nitro-3-chlorobenzoic acidEINECS 219-738-1NSC 59735NSC-59735DTXSID4062484RefChem:102331

이름 더 보기

3-Chloro-6-nitroTIMTEC-BB SBB009922RARECHEM AL BO 1106oro-2-nitrobenzoic acid5-Chloro-2-nitrobenzoic5-chloro-2-nitro-benzoicaci

DTXCID0037231219-738-1InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11ZKUYSJHXBFFGPU-UHFFFAOYSA-NMFCD000072905-chloro-2-nitro-benzoic acidNSC59735UNII-WVN7Y7ZX6S

데이터베이스 식별자

CAS: 2516-95-2
PubChem CID: 17286
DTXSID: DTXSID4062484
UNII: WVN7Y7ZX6S
EC Number: 219-738-1
Nikkaji: J1.790.247D、J135.754I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 137 · 137-139 °C (lit.)
끓는 점: 160.5 °C · 160.5°C (rough estimate)
밀도: 1 · 1,608g/cm
굴절률: 1.6 · 1.6000 (estimate)
인화점: 100 °C · 100 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 9.67 g/L · 9.67g/L
산도 계수 (pKa): 1.86 · 1.86±0.25(Predicted)
물리적 상태: 결정성 분말
색상: 연한 노란색에서 황록색까지
수용성: 약간 용해됨
BRN: 1963952 · 1963952
InChI: 1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: ZKUYSJHXBFFGPU-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(Cl)ccc1[N+]([O-])=O
NIST: 5 · 5-Chloro-2-nitrobenzoic acid(2516-95-2)
EPA: 5 · Benzoic acid, 5-chloro-2-nitro- (2516-95-2)

화학적 성질 · 1건

light yellow to yellowish-green crystalline powder.5-Chloro-2-nitrobenzoic acid is a crystalline solid sparingly soluble in cold water but readily soluble in hot water and also in ethanol and benzene. Its electrolytic dissociation constant is 1.52 × 102 (25 °C), and its melting point is 139 °C.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (82.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 05-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24276

5-Chloro-2-nitrobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (82.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN3077 9/PG 3
HS 번호: 29163900
risk_code: 36/37/38-50/53-41-37/38-22
hazard_code: Xi,N,Xn
safety_code: 22-24/25-61-60-36/37/39-26-36
포장분류: Ⅲ
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-chloro-2-nitro-: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

Acifluorfen 5-Hydroxyanthranilic acid Methyl 5-chloro-2-nitrobenzoate 2-Amino-5-chlorobenzoic acid 5-하이드록시-2-니트로벤조산 5-(METHYLTHIO)-2-NITROBENZOIC ACID 5-모르폴리노-2-니트로벤젠카르복실산

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

合肥瑞洛新材料科技有限公司19567218739 · [email protected]

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

연결된 노트

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5-Chloro-2-nitrobenzoic acid

기본 정보