3-クロロ-4-ニトロ安息香酸

3-Chloro-4-nitrobenzoic acid

HCID 520953

基本情報

CAS
39608-47-4
標準SMILES
O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIKey
TZPGGFYKIOBMCN-UHFFFAOYSA-N
分子式
C7H4ClNO4
平均分子量
201.56 g/mol
単同位体質量
200.9828853

名称と識別子

優先名称
3-Chloro-4-nitrobenzoic acid
IUPAC
3-chloro-4-nitrobenzoic acid
現地名
3-クロロ-4-ニトロ安息香酸
英語名
3-Chloro-4-nitrobenzoic acid
分子式
C7H4ClNO4
分子量
201.56

名称と別名

3-Chloro-4-nitrobenzoic acid39608-47-4Benzoic acid, 3-chloro-4-nitro-DTXSID30334502RefChem:93449DTXCID00285592630-043-6TZPGGFYKIOBMCN-UHFFFAOYSA-NMFCD016321723-Chloro-4-nitro-benzoic acid3-Chloro-4-nitrobenzoicacidSCHEMBL360051
名称をさらに表示
3-クロロ-4-ニトロ安息香酸3-Chloro-4-NitrobenzoicAci
SBB064199AKOS015848985AC-8876CS-W021900FC71155GS-3090AC-20372SY030953

データベース識別子

CAS
39608-47-4
PubChem CID
520953
DTXSID
DTXSID30334502
EC Number
630-043-6
Nikkaji
J169.154F

物性

構造計算による物性

XLogP
2
極性表面積
83.1 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
13

物理化学的性質

融点
178 · 178-180°C
沸点
382.7 · 382.7±27.0 °C(Predicted)
比重(密度)
1.602 · 1.602±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
外見
solid
酸解離定数(Pka)
3.05 · 3.05±0.10(Predicted)

化学的性質

化学的特性Light yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);STOT SE 3 (75%)

安全データ

hs_code
2916399090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

サプライヤー78 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

関連反応

5 件

化合物ノート

読み込み中…